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

neopentyl glycol
2,2-dimethyl-1,3-propane diol

Supplier Sponsors

Name:2,2-dimethylpropane-1,3-diol
CAS Number: 126-30-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:204-781-0
FDA UNII: QI80HXD6S5
Nikkaji Web:J2.511I
Beilstein Number:0605291
MDL:MFCD00004685
Molecular Weight:104.14904000
Formula:C5 H12 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:plasticizers
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
DG SANTE Food Contact Materials:2,2-dimethyl-1,3-propanediol
FDA Mainterm (IAUFC):126-30-7 ; NEOPENTYL GLYCOL
 
Physical Properties:
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 130.00 °C. @ 760.00 mm Hg
Boiling Point: 208.00 °C. @ 760.00 mm Hg
Saponification Value:195.00 to 196.00
Vapor Pressure:0.045000 mmHg @ 25.00 °C. (est)
Flash Point: 225.00 °F. TCC ( 107.22 °C. )
logP (o/w): -0.343 (est)
Soluble in:
 water, 8.253e+004 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: plasticisers
solvents
 
Suppliers:
BASF
neopentylglycol
BOC Sciences
For experimental / research use only.
2,2-Dimethyl-1,3-propanediol 98%
Eastman Chemical
NPG Glycol Platelets
sds
99.2 wt % min.
Sigma-Aldrich: Aldrich
For experimental / research use only.
2,2-Dimethyl-1,3-propanediol 99%
sds
 
Safety Information:
Preferred SDS: View
 
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 LDLo 3200 mg/kg
Kodak Company Reports. Vol. 21MAY1971

Dermal Toxicity:
Not determined
Inhalation Toxicity:
inhalation-rat LCLo 39000 ppm/6H
Kodak Company Reports. Vol. 21MAY1971
 
Safety in Use Information:
Category:
plasticizers
Recommendation for neopentyl glycol usage levels up to:
 not for fragrance use.
 
Recommendation for neopentyl glycol flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
NIOSH International Chemical Safety Cards:search
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):126-30-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :31344
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
2,2-dimethylpropane-1,3-diol
Chemidplus:0000126307
EPA/NOAA CAMEO:hazardous materials
RTECS:126-30-7
 
References:
 2,2-dimethylpropane-1,3-diol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:126-30-7
Pubchem (cid):31344
Pubchem (sid):134973554
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2905.39.2000
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2,2-dimethyl propane-1,3-diol
 dimethyl trimethylene glycol
2,2-dimethyl-1,3-propane diol
2,2-dimethyl-1,3-propanediol
 dimethylol propane
2,2-dimethylpropane-1,3-diol
 dimethyltrimethylene glycol
 hydroxypivalyl alcohol
 NPG glycol
neopentane diol
neopentylene glycol
neopentylglycol
 propane-1,3-diol, 2,2-dimethyl-
1,3-propanediol, 2,2-dimethyl-
 

Articles:

PubMed:Improved Glucose-Neopentyl Glycol (GNG) Amphiphiles for Membrane Protein Solubilization and Stabilization.
PubMed:Solvent effect and reactivity trend in the aerobic oxidation of 1,3-propanediols over gold supported on titania: NMR diffusion and relaxation studies.
PubMed:Allylation reactions of aldehydes with allylboronates in aqueous media: unique reactivity and selectivity that are only observed in the presence of water.
PubMed:The role of ligands on the equilibria between functional states of a G protein-coupled receptor.
PubMed:High specificity in response of the sodium-dependent multivitamin transporter to derivatives of pantothenic acid.
PubMed:Oligomeric structure and functional characterization of Caenorhabditis elegans Innexin-6 gap junction protein.
PubMed:The rhodopsin-transducin complex houses two distinct rhodopsin molecules.
PubMed:Hemifluorinated maltose-neopentyl glycol (HF-MNG) amphiphiles for membrane protein stabilisation.
PubMed:Glucose-neopentyl glycol (GNG) amphiphiles for membrane protein study.
PubMed:Studies toward the unique pederin family member psymberin: full structure elucidation, two alternative total syntheses, and analogs.
PubMed:Characterization and two-dimensional crystallization of membrane component AlkB of the medium-chain alkane hydroxylase system from Pseudomonas putida GPo1.
PubMed:Role of detergents in conformational exchange of a G protein-coupled receptor.
PubMed:Crystallization and preliminary X-ray analysis of membrane-bound pyrophosphatases.
PubMed:Building materials. VOC emissions, diffusion behaviour and implications from their use.
PubMed:[Survey of plasticizers in polyvinyl chloride toys].
PubMed:Evidence for an intermediate conformational state of LacY.
PubMed:Highly crosslinked polymeric monoliths for reversed-phase capillary liquid chromatography of small molecules.
PubMed:Maltose-neopentyl glycol (MNG) amphiphiles for solubilization, stabilization and crystallization of membrane proteins.
PubMed:Magnetothermal studies of a series of coordination clusters built from ferromagnetically coupled {Mn(II) (4)Mn(III) (6)} supertetrahedral units.
PubMed:Total synthesis of (+)-psymberin (irciniastatin A): catalytic reagent control as the strategic cornerstone.
PubMed:Solid-liquid interfacial energy of neopentylglycol.
PubMed:Structure of a novel enzyme that catalyzes acyl transfer to alcohols in aqueous conditions.
PubMed:Tandem mass spectrometry characteristics of polyester anions and cations formed by electrospray ionization.
PubMed:One-pot synthesis of star-shaped macromolecules containing polyglycidol and poly(ethylene oxide) arms.
PubMed:Hydroxyapatite implants with designed internal architecture.
PubMed:Characterization of polyesters by matrix-assisted laser desorption/ionization and Fourier transform mass spectrometry.
PubMed:Preparation of polyol esters based on vegetable and animal fats.
PubMed:On the suitability of fiberglass reinforced polyester as building material for mesocosms.
PubMed:Polymer Analysis by Liquid Chromatography/Electrospray Ionization Time-of-Flight Mass Spectrometry.
PubMed:Contact allergy to neopentyl glycol di-iso-octanoate.
PubMed:Occurrence of short chain aliphatic diols in human blood: identification by gas chromatography-mass spectrometry.
PubMed:Dermal oncogenicity bioassays of monofunctional and multifunctional acrylates and acrylate-based oligomers.
PubMed:Influence of the vehicle on elicitation of contact allergic reactions to acrylic compounds in the guinea pig.
PubMed:The sensitizing capacity of multifunctional acrylates in the guinea pig.
PubMed:Method for the routine quantitative gas chromatographic analysis of major free fatty acids in butter and cream.
PubMed:Biotransformation of the sedative 1-(p-chlorophenyl)-2,2-dimethyl-1,3-propanediol 3-carbamate in humans and five animal species.
PubMed:The gas-liquid chromatography of carboxylic acid esters of the urinary 11-deoxy-17-oxo steroids. Determination as n-butyrates.
 
Notes:
None found
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