EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

hexylene glycol
1,3,3-trimethyl-1,3-propanediol

Supplier Sponsors

Name:2-methylpentane-2,4-diol
CAS Number: 107-41-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:203-489-0
FDA UNII: KEH0A3F75J
Nikkaji Web:J3.614E
Beilstein Number:1098298
MDL:MFCD00004547
XlogP3-AA:0.30 (est)
Molecular Weight:118.17598000
Formula:C6 H14 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:cosmetic ingredient for skin and hair care
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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PubMed:Search
NCBI:Search
FDA Mainterm (IAUFC):107-41-5 ; HEXYLENE GLYCOL
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.92400 @ 25.00 °C.
Melting Point: -40.00 °C. @ 760.00 mm Hg
Boiling Point: 197.00 to 199.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.096000 mmHg @ 25.00 °C. (est)
Vapor Density:4.1 ( Air = 1 )
Flash Point:> 200.00 °F. TCC ( > 93.33 °C. )
logP (o/w): 0.004 (est)
Soluble in:
 alcohol
 water, 3.256e+004 mg/L @ 25 °C (est)
 water, 1.00E+06 mg/L @ 25 °C (exp)
 
Organoleptic Properties:
Odor Strength:none
Substantivity:400 Hour(s)
Odor Description:at 100.00 %. odorless very mild green
Luebke, William tgsc, (1985)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
skin conditioning
solvents
surfactants
surfactant - emulsifying
 
Suppliers:
Arkema
Hexylene Glycol
Odor: characteristic
Use: It is mainly used as a solvent or coupling agent. It is a potential substitute for glycol ethers. It is also an effective shrinkage reduction admixture or SRA for concrete and mortar. Hexylene glycol can also be used as a building block in chemical synthesis.
BOC Sciences
For experimental / research use only.
2-Methyl-2,4-pentanediol >98%
Odor: characteristic
Use: 2-Methyl-2,4-pentanediol, an analog of hexylene glycol, is a small molecular surfactant which could be useful as an environmentally friendly industrial coating solvent. 2-Methyl-2,4-pentanediol, an analog of hexylene glycol, is a small molecular surfactant which could be useful as an
Charkit Chemical
HEXYLENE GLYCOL
ECSA Chemicals
HEXYLENE GLYCOL
ECSA TRADE THE MOST UPDATED FINANCIAL PUBLICATION ON THE WORLD OF CHEMISTRY
Indukern F&F
HEXYLENE GLYCOL
Inoue Perfumery
HEXYLENE GLYCOL
Lluch Essence
HEXYLENE GLYCOL
Moellhausen
HEXYLEN GLYCOL
Odor: virtually odourless, mild oily, ethereal
Flavor: mild, soft, slightly ethereal
Penta International
HEXYLENE GLYCOL NF
Penta International
HEXYLENE GLYCOL
Sigma-Aldrich: Aldrich
For experimental / research use only.
hexylene glycol 99%
Silver Fern Chemical
Hexylene Glycol (HG)
Odor: characteristic
Use: Hexylene glycol has many uses including hydraulic brake fluids, printing inks, a coupling agent for textiles, fuels and lubricants, emulsifying agent, cosmetics, and cleaners.
Wedor Corporation
HEXYLENE GLYCOL
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50 3700 mg/kg
Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 68, 1974.

oral-rabbit LD50 3200 mg/kg
BEHAVIORAL: GENERAL ANESTHETIC LIVER: OTHER CHANGES BEHAVIORAL: MUSCLE WEAKNESS
Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 4, Pg. 142, 1945.

oral-mouse LD50 3097 mg/kg
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 45, Pg. 669, 1956.

intraperitoneal-mouse LD50 1299 mg/kg
Shell Chemical Company. Unpublished Report. Vol. -, Pg. 5, 1961.

oral-guinea pig LD50 2800 mg/kg
BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: MUSCLE WEAKNESS LIVER: OTHER CHANGES
Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 4, Pg. 142, 1945.

intraperitoneal-rat LDLo 1500 mg/kg
BEHAVIORAL: GENERAL ANESTHETIC GASTROINTESTINAL: OTHER CHANGES KIDNEY, URETER, AND BLADDER: RENAL FUNCTION TESTS DEPRESSED
Journal of Pharmacy and Pharmacology. Vol. 11, Pg. 150, 1959.

Dermal Toxicity:
skin-rabbit LD50 8560 ul/kg
"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 731, 1969.

subcutaneous-rabbit LD50 13000 mg/kg
SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"
Food and Cosmetics Toxicology. Vol. 16, Pg. 777, 1978.

Inhalation Toxicity:
inhalation-rat LC50 > 310 mg/m3/1H
BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 12-4/1970

inhalation-human TCLo 50 ppm/15M
LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 312, 1969.

inhalation-mammal (species unspecified) TCLo 50 ppm
SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Journal of Industrial Hygiene and Toxicology. Vol. 28, Pg. 262, 1946.

 
Safety in Use Information:
Category:
cosmetic ingredient for skin and hair care
Recommendation for hexylene glycol usage levels up to:
 not for fragrance use.
 
Recommendation for hexylene glycol flavor usage levels up to:
 not for flavor use.
 
Safety References:
European Food Safety Authority (EFSA) reference(s):

Risk Assessment of Food Contact Materials
View page or View pdf

EPI System: View
NIOSH International Chemical Safety Cards:search
NIOSH Pocket Guide:search
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):107-41-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7870
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
2-methylpentane-2,4-diol
Chemidplus:0000107415
EPA/NOAA CAMEO:hazardous materials
RTECS:107-41-5
 
References:
 2-methylpentane-2,4-diol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:107-41-5
Pubchem (cid):7870
Pubchem (sid):134972423
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Indirect Additives used in Food Contact Substances:View
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):D04439
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2905.19.0060
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
Formulations/Preparations:
liquid grade
 
Potential Blenders and core components note
None Found
 
Potential Uses:
 blender
 emulsifying agents
 skin conditioning
 solvents
 surfactants
 
Occurrence (nature, food, other):note
 can be nature identical
 
Synonyms:
2,4-dihydroxy-2-methyl pentane
2,4-dihydroxy-2-methylpentane
1,3-dimethyl-3-hydroxybutanol
 diolane
 hexylen glycol
(±)-hexylene glycol
 isol
2-methyl pentane-2,4-diol
2-methyl-2,4-pentandiol
4-methyl-2,4-pentane diol
2-methyl-2,4-pentanediol
2-methylpentane-2,4-diol
2,4-pentanediol, 2-methyl-
 pinakon
1,1,3-trimethyl trimethylene diol
alpha,alpha,alpha'-trimethyl trimethylene glycol
1,1,3-trimethyl-1,3-propanediol
1,3,3-trimethyl-1,3-propanediol
1,1,3-trimethyltrimethylenediol
 

Articles:

PubMed:Refolding of SDS-denatured proteins using amphipathic cosolvents and osmolytes.
PubMed:Crystallization and preliminary X-ray analysis of peptidyl-tRNA hydrolase from Thermus thermophilus HB8.
PubMed:Crystal structure of silkworm Bombyx mori JHBP in complex with 2-methyl-2,4-pentanediol: plasticity of JH-binding pocket and ligand-induced conformational change of the second cavity in JHBP.
PubMed:Nanolitre-scale crystallization using acoustic liquid-transfer technology.
PubMed:Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases.
PubMed:Structure-property relationship in new photo-cured dimethacrylate-based dental resins.
PubMed:A strategy for purifying glutathione S-transferase in the presence of sodium dodecyl sulfate.
PubMed:Atomic force microscopy imaging of human metaphase chromosomes in liquid.
PubMed:The structure of human ubiquitin in 2-methyl-2,4-pentanediol: a new conformational switch.
PubMed:2-Methyl-2,4-pentanediol induces spontaneous assembly of staphylococcal α-hemolysin into heptameric pore structure.
PubMed:Diffusion in ternary aqueous systems containing human serum albumin and precipitants of different classes.
PubMed:Properties of a new mouthrinse for patients receiving radiation therapy.
PubMed:PagP crystallized from SDS/cosolvent reveals the route for phospholipid access to the hydrocarbon ruler.
PubMed:Formulation of creams with betamethasone dipropionate: evaluation of chemical stability.
PubMed:Contact urticaria with systemic symptoms due to hexylene glycol in a topical corticosteroid: case report and review of hypersensitivity to glycols.
PubMed:Tryptophan as a three-way switch in regulating the function of the secretory signalling glycoprotein (SPS-40) from mammary glands: structure of SPS-40 complexed with 2-methylpentane-2,4-diol at 1.6 A resolution.
PubMed:Protecting role of cosolvents in protein denaturation by SDS: a structural study.
PubMed:Efficient low-power heteronuclear decoupling in 13C high-resolution solid-state NMR under fast magic angle spinning.
PubMed:Refolding SDS-denatured proteins by the addition of amphipathic cosolvents.
PubMed:High-resolution solid-state MAS NMR of proteins-Crh as an example.
PubMed:The structures of transcription factor CGL2947 from Corynebacterium glutamicum in two crystal forms: a novel homodimer assembling and the implication for effector-binding mode.
PubMed:Aqueous self-assembly of phytantriol in ternary systems: effect of monoolein, distearoylphosphatidylglycerol and three water-miscible solvents.
PubMed:Isolation of Arabidopsis nuclei and measurement of gene transcription rates using nuclear run-on assays.
PubMed:A family of nanoporous materials based on an amino acid backbone.
PubMed:Andersen's syndrome mutation effects on the structure and assembly of the cytoplasmic domains of Kir2.1.
PubMed:Preferential hydration of DNA: the magnitude and distance dependence of alcohol and polyol interactions.
PubMed:Effect of organic cosolvents on the free solution mobility of curved and normal DNA molecules.
PubMed:Atomic force microscopy of native human metaphase chromosomes in a liquid.
PubMed:Effect of the solvent on the conformation of a depsipeptide: NMR-derived solution structure of hormaomycin in DMSO from residual dipolar couplings in a novel DMSO-compatible alignment medium.
PubMed:Pentane-1,5-diol as a percutaneous absorption enhancer.
PubMed:Polar body formation in Spisula oocytes: function of the peripheral aster.
PubMed:Induction of cytokinesis is independent of precisely regulated microtubule dynamics.
PubMed:A new arrangement of (beta/alpha)8 barrels in the synthase subunit of PLP synthase.
PubMed:Roles of polymerization dynamics, opposed motors, and a tensile element in governing the length of Xenopus extract meiotic spindles.
PubMed:Crystalization and preliminary X-ray crystallographic analysis of the laminarinase endo-beta-1,3-glucanase from Pyrococcus furiosus.
PubMed:A redetermination of the structure of the triple mutant (K53,56,120M) of phospholipase A2 at 1.6 A resolution using sulfur-SAS at 1.54 A wavelength.
PubMed:Exclusion of alcohols from spermidine-DNA assemblies: probing the physical basis of preferential hydration.
PubMed:Characteristics of migration patterns of DNA oligomers in gels and the relationship to the question of intrinsic DNA bending.
PubMed:Microtubule plus-end dynamics in Xenopus egg extract spindles.
PubMed:The OH-initiated oxidation of hexylene glycol and diacetone alcohol.
PubMed:Increased temperature and 2-methyl-2,4-pentanediol change the DNA structure of both curved and uncurved adenine/thymine-rich sequences.
PubMed:Development of indomethacin Carbopol ETD 2001 gels and the influence of storage time and temperature on their stability.
PubMed:The crystal structure and stereospecificity of levodione reductase from Corynebacterium aquaticum M-13.
PubMed:Observation of additional calcium ion in the crystal structure of the triple mutant K56,120,121M of bovine pancreatic phospholipase A2.
PubMed:Influence of storage time and temperature on the stability of indomethacin Pluronic F-127 gels.
PubMed:An overview on 2-methyl-2,4-pentanediol in crystallization and in crystals of biological macromolecules.
PubMed:Determination of glycols in biological specimens by gas chromatography-mass spectrometry.
PubMed:Pluronic F-127 gels as a vehicle for topical formulations of indomethacin and rheological behaviour of these formulations.
PubMed:KNI-272, a highly selective and potent peptidic HIV protease inhibitor.
PubMed:The 1.19 A X-ray structure of 2'-O-Me(CGCGCG)(2) duplex shows dehydrated RNA with 2-methyl-2,4-pentanediol in the minor groove.
PubMed:An open study of efficacy and safety of long-term treatment with mometasone furoate fatty cream in the treatment of adult patients with atopic dermatitis.
PubMed:Crystallization, structure solution and refinement of hen egg-white lysozyme at pH 8.0 in the presence of MPD.
PubMed:Bivariate flow cytometry DNA/BrdUrd analysis of plant cell cycle.
PubMed:Crystallographic studies on a family B DNA polymerase from hyperthermophilic archaeon Pyrococcus kodakaraensis strain KOD1.
PubMed:Effects of commonly used cryoprotectants on glycogen phosphorylase activity and structure.
PubMed:Non-flammable preparative reversed-phase liquid chromatography of recombinant human insulin-like growth factor-I.
PubMed:Division of polar bodies induced by their enlargement in the starfish Asterina pectinifera.
PubMed:Effects of neutral salts on RNA chain elongation and pausing by Escherichia coli RNA polymerase.
PubMed:Effect of the crystallizing agent 2-methyl-2,4-pentanediol on the structure of adenine tract DNA in solution.
PubMed:Comparison of the solution and crystal conformations of (G + C)-rich fragments of DNA.
PubMed:The organic crystallizing agent 2-methyl-2,4-pentanediol reduces DNA curvature by means of structural changes in A-tracts.
PubMed:Cosolvent-induced adsorption and desorption of serum proteins on an amphiphilic mercaptomethylene pyridine-derivatized agarose gel.
PubMed:MPD and DNA bending in crystals and in solution.
PubMed:What is the basis of sequence-directed curvature in DNAs containing A tracts?
PubMed:Dehydrating agents sharply reduce curvature in DNAs containing A tracts.
PubMed:Contribution of the surface free energy perturbation to protein-solvent interactions.
PubMed:High resolution structures of the 4-4-20 Fab-fluorescein complex in two solvent systems: effects of solvent on structure and antigen-binding affinity.
PubMed:High resolution detection of uncoated metaphase chromosomes by means of field emission scanning electron microscopy.
PubMed:Effect of hexylene glycol-altered microtubule distributions on cytokinesis and polar lobe formation in fertilized eggs of Ilyanassa obsoleta.
PubMed:Cosolvent modulation of the tubulin-colchicine GTPase-activating conformational change: strength of the enzymatic activity.
PubMed:Further evaluation of a new penetration enhancer, HPE-101.
PubMed:The alpha-helical content of calmodulin is increased by solution conditions favouring protein crystallisation.
PubMed:A high-yield procedure for isolation of metaphase chromosomes from root tips of Vicia faba L.
PubMed:Conditions for assembly of tubulin-based structures in unfertilized sea urchin eggs. Spirals, monasters and cytasters.
PubMed:The ultrastructure of Pityrosporum pachydermatis.
PubMed:Preparation and flow cytometric analysis of metaphase chromosomes of tomato.
PubMed:Change in the heterogeneous distribution of tubulin isotypes in mitotic microtubules of the sea urchin egg by treatment with microtubule depolymerizing or stabilizing drugs.
PubMed:Antibacterial and antifungal properties of propylene glycol, hexylene glycol, and 1,3-butylene glycol in vitro.
PubMed:Crystal structure of thioredoxin from Escherichia coli at 1.68 A resolution.
PubMed:[Effect of hexylene glycol on microtubular structures in starfish oocytes and sea urchin eggs].
PubMed:Skin reactions to hexylene glycol.
PubMed:Three-dimensional structure of a fluorescein-Fab complex crystallized in 2-methyl-2,4-pentanediol.
PubMed:The genetic toxicology of some hydrocarbon and oxygenated solvents.
PubMed:Differences in crystal properties and ligand affinities of an antifluorescyl Fab (4-4-20) in two solvent systems.
PubMed:Phase diagrams for DNA crystallization systems.
PubMed:[The use of phase diagrams in the crystallization of oligonucleotide duplexes. I. A model of crystallization of the (pGpT)n.(pApC)n + spermine system].
PubMed:Single crystals of hydrogenase from Desulfovibrio vulgaris Miyazaki F.
PubMed:Cytoskeleton of the unfertilized sea urchin egg.
PubMed:Oxygen consumption by tumor cells during membrane vesicle shedding.
PubMed:Dual effect of procaine in sea urchin eggs. Inducer and inhibitor of microtubule assembly.
PubMed:Effect of a nonsteroidal antiandrogen, flutamide, on androgen receptor dynamics and ornithine decarboxylase gene expression in mouse kidney.
PubMed:Nuclear androgen receptors in different stages of the seminiferous epithelial cycle and the interstitial tissue of rat testis.
PubMed:Nonaqueous fractionation of HeLa cells in glycols.
PubMed:Composition of the isolated mitotic apparatus: analysis by polyacrylamide gel electrophoresis.
PubMed:[Study of a lysis medium stabilizing microfilaments and microtubules in vitro and in vivo].
PubMed:Structure of variant-3 scorpion neurotoxin from Centruroides sculpturatus Ewing, refined at 1.8 A resolution.
PubMed:Localization of estrogen receptor regulatory factor in the uterine nucleus.
PubMed:Selective crystallization of horse isoferritins.
PubMed:Chinese hamster metaphase chromosomes isolated under physiological conditions. A partial characterization of associated non-histone proteins and protein cores.
PubMed:Possible role of microtubules in tumor cell surface membrane shedding, permeability, and lympholysis.
PubMed:Preparation of calmodulin crystals.
PubMed:Stereo electron microscope studies of mitotic chromosomes from Chinese hamster ovary cells.
PubMed:Safety evaluation of some humectants and moisturizers used in cosmetic formulations.
PubMed:Parthenogenetic activation of sea urchin egg induces a cyclical variation of the cytoplasmic resistance to hexylene glycol-Triton X-100 treatment.
PubMed:Six polymorphic crystal forms of alpha-cobratoxin.
PubMed:A new method for the preparation of metaphase chromosomes for flow analysis.
PubMed:Packing DNA into chromosomes.
PubMed:Experimental determinations of tubulin in the in vivo mitotic apparatus of sea urchin zygotes.
PubMed:An analysis of spindle ultrastructure during prometaphase and metaphase of micronuclear division in Tetrahymena.
PubMed:Induction of cleavage in nucleated and enucleated frog eggs by injection of isolated sea-urchin mitotic apparatus.
PubMed:Studies on the de novo formation of centrioles: aster formation in the activated eggs of sea urchin.
PubMed:Cytochemical and ultrastructural studies on the synaptonemal complex of rat spermatocytes.
PubMed:Isolation of nuclei using hexylene glycol.
PubMed:Spindle birefringence of isolated mitotic apparatus: further evidence for two birefringent spindle components.
PubMed:The effect of vinblastine, colchicine and hexylene glycol on migration of human monocytes.
PubMed:Spindle birefringence of isolated mitotic apparatus analysed by pressure treatment.
PubMed:Studies on intracellular transport of secretory proteins in the rat exocrine pancreas. II. Inhibition of antimicrotubular agents.
PubMed:The avian erythrocyte: a study of fixation for electron microscopy.
PubMed:Colchicine-binding protein and the secretion of thyroid hormone.
PubMed:Electron probe analysis of freeze-substituted, epoxy resin embedded tissue for ion transport studies in plants.
PubMed:Purification of intact microtubules from brain.
PubMed:The mitotic apparatus. Physical chemical characterization of the 22S protein component and its subunits.
PubMed:The mitotic apparatus. Identification of the major soluble component of the glycol-isolated mitotic apparatus.
PubMed:The toxicity of 2-methylpentan-2, 4-diol (hexylene glycol) by chronic oral administration to rats and mice.
PubMed:The excretion of hexylene glycol (2-methyl-2,4-pentane diol) in man.
PubMed:Determination of 2-methyl-2,4-pentane diol (hexylene glycol) in the urine of man and rats.
PubMed:Local and systemic effects of 2-methyl 2,4 pentanediol (hexylene glycol).
 
Notes:
None found
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