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phenylpropane
benzene, n-propyl-

Supplier Sponsors

CAS Number: 103-65-1Picture of molecule3D/inchi
Other(deleted CASRN):74296-31-4
ECHA EINECS - REACH Pre-Reg:203-132-9
FDA UNII: 0WR86ZHG2Z
Nikkaji Web:J5.516F
Beilstein Number:1903006
MDL:MFCD00009377
XlogP3:3.70 (est)
Molecular Weight:120.19464000
Formula:C9 H12
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:solvents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.86200 @ 25.00 °C.
Refractive Index:1.49100 @ 20.00 °C.
Melting Point: -99.50 °C. @ 760.00 mm Hg (est)
Boiling Point: 159.20 °C. @ 760.00 mm Hg
Vapor Pressure:3.100000 mmHg @ 25.00 °C. (est)
Vapor Density:4.14 ( Air = 1 )
Flash Point: 118.00 °F. TCC ( 47.78 °C. )
logP (o/w): 3.690
Soluble in:
 water, 52.2 mg/L @ 25 °C (exp)
 water, 70.73 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: solvents
 
Suppliers:
Sigma-Aldrich: Aldrich
For experimental / research use only.
Propylbenzene ≥99.0% (GC)
sds
TCI AMERICA
For experimental / research use only.
Propylbenzene >99.0%(GC)
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 LD50 6040 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
inhalation-mouse LCLo 20000 mg/m3
BEHAVIORAL: GENERAL ANESTHETIC LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION CARDIAC: OTHER CHANGES
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 143, Pg. 223, 1929.

inhalation-rat LC50 65000 ppm/2H
"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 34, 1986.
 
Safety in Use Information:
Category:
solvents
Recommendation for phenylpropane usage levels up to:
 not for fragrance use.
 
Recommendation for phenylpropane flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):103-65-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7668
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
propylbenzene
Chemidplus:0000103651
EPA/NOAA CAMEO:hazardous materials
RTECS:DA8750000 for cas# 103-65-1
 
References:
 propylbenzene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:103-65-1
Pubchem (cid):7668
Pubchem (sid):134972240
 
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
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2902.90.3050
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 averrhoa carambola fruit oil cuba @ trace%
Data GC Search Trop Picture
 not found in nature
 
Synonyms:
 benzene, n-propyl-
 benzene, propyl-
isocumene
 ethyl toluene
 ethylmethylbenzene
1-phenyl propane
1-phenylpropane
 propyl benzene
1-propyl benzene
n-propyl benzene
n-propyl benzene [UN2364] [Flammable liquid]
 propylbenzene
1-propylbenzene
n-propylbenzene
 propylbenzene, n-
 

Articles:

PubMed:Carbohydrate-Mediated Purification of Petrochemicals.
PubMed:Emission and profile characteristic of volatile organic compounds emitted from coke production, iron smelt, heating station and power plant in Liaoning Province, China.
PubMed:Varying the porous structure of polystyrene/divinylbenzene beads prepared by Ugelstads activated swelling technique and examining its reversed phase HPLC properties.
PubMed:Solubilization of n-alkylbenzenes into gemini surfactant micelles in aqueous medium.
PubMed:Improving peak shapes with counter gradients in two-dimensional high performance liquid chromatography.
PubMed:Use of novel phenyl-hexyl core-shell particles in nano-LC.
PubMed:Exploring reverse shape selectivity and molecular sieving effect of metal-organic framework UIO-66 coated capillary column for gas chromatographic separation.
PubMed:Benzaldehyde is a precursor of phenylpropylamino alkaloids as revealed by targeted metabolic profiling and comparative biochemical analyses in Ephedra spp.
PubMed:Phase equilibria study of the binary systems (N-hexylisoquinolinium thiocyanate ionic liquid + organic solvent or water).
PubMed:Conformational mobility of small molecules in glass-forming solutions studied by FTIR spectroscopy.
PubMed:Active flow management in preparative chromatographic separations: a preliminary investigation into enhanced separation using a curtain flow inlet fitting and segmented flow outlet fitting.
PubMed:Behaviour of the isothermal retention indices of n-alkylbenzenes on stationary phases of different polarity.
PubMed:Silylium-arene adducts: an experimental and theoretical study.
PubMed:[Removal of volatile organic compounds in soils by soil vapor extraction (SVE)].
PubMed:Structure, electronic properties and catalytic behaviour of an activity-enhancing CYP102A1 (P450(BM3)) variant.
PubMed:Phase equilibria study of {N-hexylisoquinolinium bis{(trifluoromethyl)sulfonyl}imide + aromatic hydrocarbons or an alcohol} binary systems.
PubMed:New cobalt-mediated radical polymerization (CMRP) of methyl methacrylate initiated by two single-component dinuclear β-diketone cobalt (II) catalysts.
PubMed:Phase equilibria and modeling of pyridinium-based ionic liquid solutions.
PubMed:Composition and stereochemistry of ephedrine alkaloids accumulation in Ephedra sinica Stapf.
PubMed:Characterization of two aldo-keto reductases from Gluconobacter oxydans 621H capable of regio- and stereoselective alpha-ketocarbonyl reduction.
PubMed:Comparison of signal-to-noise, blank determination, and linear regression methods for the estimation of detection and quantification limits for volatile organic compounds by gas chromatography.
PubMed:Two conformers observed and characterized in isobutylbenzene.
PubMed:Determination of absolute photoionization cross-sections of aromatics and aromatic derivatives.
PubMed:Effect of cell-surface hydrophobicity on bacterial conversion of water-immiscible chemicals in two-liquid-phase culture systems.
PubMed:Purification and characterization of a (R)-1-phenyl-1,3-propanediol-producing enzyme from Trichosporon fermentans AJ-5152 and enzymatic (R)-1-phenyl-1,3-propanediol production.
PubMed:Effects of native organic material and water on sorption properties of reference diesel soot.
PubMed:Hydrofluoric acid etched stainless steel wire for solid-phase microextraction.
PubMed:The influence of carbon-carbon multiple bonds on the solvolyses of tertiary alkyl halides: A Grunwald-Winstein analysis.
PubMed:Synthesis of a fluorine-substituted puromycin derivative for Brønsted studies of ribosomal-catalyzed peptide bond formation.
PubMed:Solubilization of n-alkylbenzenes into decanoyl-N-methylglucamide (Mega-10) solution; temperature dependence.
PubMed:Understanding the importance of the viscosity contrast between the sample solvent plug and the mobile phase and its potential consequence in two-dimensional high-performance liquid chromatography.
PubMed:Phase equilibria study in binary systems (tetra-n-butylphosphonium tosylate ionic liquid + 1-alcohol, or benzene, or n-alkylbenzene).
PubMed:Evolved CYP102A1 (P450BM3) variants oxidise a range of non-natural substrates and offer new selectivity options.
PubMed:Solubilization of n-alkylbenzenes into decanoyl-N-methylglucamide (Mega-10) solution.
PubMed:Sonochemical degradation of various monocyclic aromatic compounds: relation between hydrophobicities of organic compounds and the decomposition rates.
PubMed:Comparative study of charge division in substituted benzene cations.
PubMed:Solubilization of n-alkylbenzenes into octaethylene glycol mono-n-tetradecyl ether (C14E8) micelles.
PubMed:Chemical kinetic study of the effect of a biofuel additive on jet-A1 combustion.
PubMed:QSARs for aromatic hydrocarbons at several trophic levels.
PubMed:Faster axial band dispersion in a monolithic silica column than in a particle-packed column.
PubMed:[Preparation and evaluation of monolithic silica columns for capillary electrochromatography].
PubMed:Propylphenols are metabolites in the anaerobic biodegradation of propylbenzene under iron-reducing conditions.
PubMed:A new pyridine-2,6-bis(oxazoline) for efficient and flexible lanthanide-based catalysts of enantioselective reactions with 3-alkenoyl-2-oxazolidinones.
PubMed:Relative ototoxicity of 21 aromatic solvents.
PubMed:Solid phase microextraction: measurement of volatile organic compounds (VOCs) in Dhaka City air pollution.
PubMed:Quantitative structure-activity relationship for aromatic hydrocarbons on freshwater fish.
PubMed:Dependence of selective enclathration on types of cholic acid crystals.
PubMed:Biological and health effects of exposure to kerosene-based jet fuels and performance additives.
PubMed:Evaluation of chiral oxazolines for the highly enantioselective diethylzinc addition to N-(diphenylphosphinoyl) imines.
PubMed:Application of low-temperature glassy carbon-coated macrofibers for solid-phase microextraction analysis of simulated breath volatiles.
PubMed:Temperature effect on solubilization of n-alkylbenzenes into sodium cholate micelles.
PubMed:Expansion of growth substrate range in Pseudomonas putida F1 by mutations in both cymR and todS, which recruit a ring-fission hydrolase CmtE and induce the tod catabolic operon, respectively.
PubMed:Synthesis of 1,3-difluoroaromatics in one pot by addition of difluorocarbene from sodium chlorodifluoroacetate to 1,2-substituted cyclobutenes.
PubMed:[A new method for predicting retention time of solutes under linear gradient elution conditions in RP-HPLC].
PubMed:Molecular-dynamics simulation for liquid chromatographic interactions: effect of mobile phase composition.
PubMed:Residue size at position 87 of cytochrome P450 BM-3 determines its stereoselectivity in propylbenzene and 3-chlorostyrene oxidation.
PubMed:A review of the neurotoxicity risk of selected hydrocarbon fuels.
PubMed:Product studies and laser flash photolysis on alkyl radicals containing two different beta-leaving groups are consonant with the formation of an olefin cation radical.
PubMed:Glycosidically bound flavor compounds of cape gooseberry (Physalis peruviana L.).
PubMed:Ethylbenzene dehydrogenase, a novel hydrocarbon-oxidizing molybdenum/iron-sulfur/heme enzyme.
PubMed:Effects of volatile solvents on recombinant N-methyl-D-aspartate receptors expressed in Xenopus oocytes.
PubMed:Investigation of charge localization and charge delocalization in model molecules by multiphoton ionization photoelectron spectroscopy and DFT calculations.
PubMed:Micelle formation of sodium cholate and solubilization into the micelle.
PubMed:Solubilization of n-Alkylbenzenes into Lithium 1-Perfluoroundecanoate Micelles
PubMed:Survival in soil of different toluene-degrading Pseudomonas strains after solvent shock.
PubMed:Toluene 2-Monooxygenase-Dependent Growth of Burkholderia cepacia G4/PR1 on Diethyl Ether.
PubMed:A full evaporation headspace technique with capillary GC and ITD: a means for quantitating volatile organic compounds in biological samples.
PubMed:The utility of volatile hydrocarbon analysis in cases of carbon monoxide poisoning.
PubMed:Anaerobic degradation of ethylbenzene and other aromatic hydrocarbons by new denitrifying bacteria.
PubMed:Relationship between hydrocarbon structure and induction of P450: effect on RNA levels.
PubMed:Relationship between hydrocarbon structure and induction of P450: effects on protein levels and enzyme activities.
PubMed:Aromatic hydrocarbon binding to cytochrome P450 and other enzyme binding sites: are hydrophobic compounds drawn into the active site or pushed from the aqueous phase?
PubMed:Cytochrome P-455 nm complex formation in the metabolism of phenylalkylamines. XII. Enantioselectivity and temperature dependence in microsomes and reconstituted cytochrome P-450 systems from rat liver.
PubMed:[Determination of volatile substances and leachable components in polystyrene food contact wares].
PubMed:Induction of cytochrome P450 isozymes in rat liver by methyl n-alkyl ketones and n-alkylbenzenes. Effects of hydrophobicity of inducers on inducibility of cytochrome P450.
PubMed:NTP Toxicology and Carcinogenesis Studies of dl-Amphetamine Sulfate (CAS No. 60-13-9) in F344/N Rats and B6C3F1 Mice (Feed Studies).
PubMed:Hair analysis for drug abuse: I. Determination of methamphetamine and amphetamine in hair by stable isotope dilution gas chromatography/mass spectrometry method.
PubMed:Chemical synthesis and biological activities of 5-deazaaminopterin analogues bearing substituent(s) at the 5- and/or 7-position(s).
PubMed:Cytochrome P-455 nm complex formation in the metabolism of phenylalkylamines. IX. A comparative study with enantiomeric 2-nitroso-1-phenylpropane in microsomes and a reconstituted cytochrome P-450 system from rat liver.
PubMed:Mechanism of oxidation of N-hydroxyphentermine by superoxide.
PubMed:Role of superoxide in the N-oxidation of N-(2-methyl-1-phenyl-2-propyl)hydroxylamine by the rat liver cytochrome P-450 system.
PubMed:Comparison of the effects of amphetamine and a fluorinated analogue on locomotion and exploratory activity in the mouse.
PubMed:The molal volumes of atropine and hyoscine in relation to their respective potencies.
PubMed:Cytochrome P-455 nm complex formation in the metabolism of phenylalkylamines. VII. Enzyme interactions with synthetic 2-nitroso-1-phenylalkanes.
PubMed:Interaction of constitutive and phenobarbital-induced cytochrome P-450 isozymes during the sequential oxidation of benzphetamine. Explanation for the difference in benzphetamine-induced hydrogen peroxide production and 455-nm complex formation in microsomes from untreated and phenobarbital-treated rats.
PubMed:[Pharmacology of potential antidepressants of the N-L-phenylalanyl-beta-phenylalkylamine class].
PubMed:The opposing effects of N-hydroxyamphetamine and N-hydroxyphentermine on the H2O2 generated by hepatic cytochrome P-450.
PubMed:Analysis of a monofluorinated analogue of amphetamine in brain tissue using gas chromatography with electron-capture detection.
PubMed:Metabolism of 2-nitro-1-phenylpropane by rabbit liver microsomes.
PubMed:Oxidation of N-hydroxyphentermine to 2-methyl-2-nitro-1-phenylpropane by liver microsomes.
PubMed:Effects of the optical isomers of 2-amino-3-fluoro-1-phenylpropane (monofluoroamphetamine) hydrochloride on uptake and release of dopamine in rat striatum in vitro.
PubMed:[Investigations of pharmacokinetics and metabolic behavior of N-L-pnenylalanyl-L-2-amino-1-phenylpropane (author's transl)].
PubMed:Degradation of (-)-ephedrine by Pseudomonas putida. Detection of (-)-ephedrine: NAD+-oxidoreductase from Arthrobacter globiformis.
PubMed:Coexistence of different pathways in the metabolism of n-propylbenzene by Pseudomonas sp.
PubMed:The metabolism of N-hydroxyphentermine by rat liver microsomes.
PubMed:Metabolism of 2-nitro-1-phenylpropane to phenylacetone by rabbit liver microsomes.
PubMed:Autoxidation of N-hydroxyphenylalkylamines: the inhibitory effect of some anions on copper catalysed autoxidation of N-hydroxyphentermine.
PubMed:The in vitro metabolism of 2-nitroso-1-phenylpropane dimer by fortified 9000g supernatants from rabbit liver.
PubMed:[The gaschromatographic mass spectrometric detection of amphetaminile (author's transl)].
PubMed:[Reaction of guanidines with alpha-diketones. II. Relation between the structure of reaction products of 1,1-pentamethyleneguanidine and benzamidine with 1-phenylpropane-1,2-dione and benzil and the coloration of Voges-Proskauer reaction (author's transl)].
PubMed:In vitro metabolism of 1-phenyl-2-propanone oxime in rat liver homogenates.
PubMed:The metabolism of (-)-ephedrine in man.
PubMed:Proceedings: In vitro metabolic studies using the metabonates of amphetamine, 2-nitroso-1-phenylpropane and benzyl methyl ketoxime.
PubMed:Liver regeneration as influenced by the structure of aromatic and heterocyclic compounds.
PubMed:The N-hydroxylation of phentermine (2-methyl-2-amino-1-phenylpropane). Properties of the enzyme system.
PubMed:Species differences in the metabolism of norephedrine in man, rabbit and rat.
PubMed:[A powerful local anesthetic: 2-N-(beta-(4-propionyl-phenoxy)ethyl)amino-1-phenylpropane].
PubMed:1,2-Dihydroxy-1-phenylpropane: a metabolite of ephedrine in ponies.
PubMed:[Studies on synthetic choleretics: 1-phenylpropane derivatives].
PubMed:[Pharmacological properties of a new inhibitor of monoamine oxidase: 2-hydrazino-1-phenylpropane].
PubMed:Studies in detoxication. 69. The metabolism of alkylbenzenes: n-propylbenzene and n-butylbenzene with further observations on ethylbenzene.
PubMed:Colorimetric determination of 2-nitro-2-bromo-1-methoxy-1-phenylpropane.
PubMed:The clinical assay of a new fungicide, P-594 (2-nitro-2-bromo-1-methoxy-1-phenylpropane).
PubMed:Derivatives of propylbenzene as sythetic sex hormones.
 
Notes:
None found
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