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

2-methyl pentane
pentane, 2-methyl-

Supplier Sponsors

Name:2-methylpentane
CAS Number: 107-83-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:203-523-4
FDA UNII: 49IB0U6MLD
Nikkaji Web:J43.511B
Beilstein Number:1730735
MDL:MFCD00009406
XlogP3-AA:3.20 (est)
Molecular Weight:86.17758000
Formula:C6 H14
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
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
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.65200 to 0.65500 @ 20.00 °C.
Pounds per Gallon - (est).: 5.432 to 5.457
Refractive Index:1.37000 to 1.37400 @ 20.00 °C.
Melting Point:-153.60 °C. @ 760.00 mm Hg (est)
Boiling Point: 60.20 °C. @ 760.00 mm Hg
Vapor Pressure:212.900000 mmHg @ 25.00 °C. (est)
Vapor Density:3.00 ( Air = 1 )
Flash Point: -10.00 °F. TCC ( -23.33 °C. )
logP (o/w): 3.760 (est)
Soluble in:
 water, 14 mg/L @ 25 °C (exp)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
EMD Millipore
For experimental / research use only.
2-Methylpentane
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Methylpentane ≥99%
TCI AMERICA
For experimental / research use only.
2-Methylpentane >98.0%(GC)
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
information only not used for fragrances or flavors
Recommendation for 2-methyl pentane usage levels up to:
 not for fragrance use.
 
Recommendation for 2-methyl pentane flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
NIOSH International Chemical Safety Cards:search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):107-83-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7892
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-methylpentane
Chemidplus:0000107835
EPA/NOAA CAMEO:hazardous materials
RTECS:SA2985000 for cas# 107-83-5
 
References:
 2-methylpentane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:107-83-5
Pubchem (cid):7892
Pubchem (sid):134972733
Pherobase:View
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2901.10.5000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
Formulations/Preparations:
•grades: 95%, 99%, research. •sbp 6282 consists of 2- & 3-methylpentane, comprising 50% of the compound.[walker ai et al; food cosmet toxicol 5 (1): 19 (1967)] pubmed abstract
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 apricot fruit
Search Trop Picture
 brassica napus ssp. oleifera
Search Trop Picture
 coffee
Search PMC Picture
 hawthorn
Search Trop Picture
 
Synonyms:
1,1-dimethyl butane
 dimethyl propyl methane
1,1-dimethylbutane
 dimethylpropylmethane
isohexane
2-methylpentane
 pentane, 2-methyl-
 

Articles:

PubMed:Anaerobic alkane biodegradation by cultures enriched from oil sands tailings ponds involves multiple species capable of fumarate addition.
PubMed:Tailoring the structure of two-dimensional self-assembled nanoarchitectures based on ni(ii) -salen building blocks.
PubMed:Effects of metal and acidic sites on the reaction by-products of butyl acetate oxidation over palladium-based catalysts.
PubMed:High-temperature catalytic reforming of n-hexane over supported and core-shell Pt nanoparticle catalysts: role of oxide-metal interface and thermal stability.
PubMed:Experimental investigation of the low temperature oxidation of the five isomers of hexane.
PubMed:Comparative analyses of volatile organic compounds (VOCs) from patients, tumors and transformed cell lines for the validation of lung cancer-derived breath markers.
PubMed:Fluorescence spectroscopy of individual semiconductor nanoparticles in different ethylene glycols.
PubMed:Molecular docking of different inhibitors and activators to butyrylcholinesterase.
PubMed:1H NMR spectra of alkane-1,3-diols in benzene: GIAO/DFT shift calculations.
PubMed:Crystal structure and solution state characterization of lithium (S)-(1-(bis(2-methoxyethyl)amino)-3-methylbutan-2-yl)(methyl)amide.
PubMed:Temporal variation of volatile organic compounds and their major emission sources in Seoul, Korea.
PubMed:Separation of hexane isomers in a metal-organic framework with triangular channels.
PubMed:Sieving di-branched from mono-branched and linear alkanes using ZIF-8: experimental proof and theoretical explanation.
PubMed:Functionalization of non-activated C-H bonds of alkanes: an effective and recyclable catalytic system based on fluorinated silver catalysts and solvents.
PubMed:Improving the affinity and activity of CYP101D2 for hydrophobic substrates.
PubMed:[New opportunities of renal diseases diagnostics using gas chromatography].
PubMed:Simultaneous indoor and outdoor on-line hourly monitoring of atmospheric volatile organic compounds in an urban building. The role of inside and outside sources.
PubMed:Characteristics of atmospheric non-methane hydrocarbons during haze episode in Beijing, China.
PubMed:Mechanistic investigation of cyclohexane oxidation by a non-heme iron complex: evidence of product inhibition by UV/vis stopped-flow studies.
PubMed:Multi-structural thermodynamics of C-H bond dissociation in hexane and isohexane yielding seven isomeric hexyl radicals.
PubMed:Determination of 3-methyl-2,4-nonanedione in red wines using methanol chemical ionization ion trap mass spectrometry.
PubMed:13C NMR studies of hydrocarbon guests in synthetic structure H gas hydrates: experiment and computation.
PubMed:Debye process and dielectric state of an alcohol in a nonpolar solvent.
PubMed:Selective pressurized liquid extraction of estrogenic compounds in soil and analysis by gas chromatography-mass spectrometry.
PubMed:Isomerization of neopentyl chloride and neopentyl bromide by a 1,2-interchange of a halogen atom and a methyl group.
PubMed:Arisanschinins A-E, lignans from Schisandra arisanensis hay.
PubMed:Metathesis of alkanes and related reactions.
PubMed:In situ single cell monitoring by isocyanide-functionalized Ag and Au nanoprobe-based Raman spectroscopy.
PubMed:Approach to estimation of absorption of aliphatic hydrocarbons diffusing from interior materials in an automobile cabin by inhalation toxicokinetic analysis in rats.
PubMed:Benchmark thermochemistry of the C(n)H(2n+2) alkane isomers (n = 2-8) and performance of DFT and composite ab initio methods for dispersion-driven isomeric equilibria.
PubMed:Dynamic solvent effects on the thermal isomerization of zinc dithizonate.
PubMed:Rate constants for OH with selected large alkanes: shock-tube measurements and an improved group scheme.
PubMed:Release of volatile organic compounds from the lung cancer cell line NCI-H2087 in vitro.
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:Is there any microporosity in ordered mesoporous silicas?
PubMed:Effect of aggregate structure on VOC gas adsorption onto volcanic ash soil.
PubMed:Pollutant emissions from gasoline combustion. 1. Dependence on fuel structural functionalities.
PubMed:Selective methylative homologation: an alternate route to alkane upgrading.
PubMed:Heterolytic cleavage of peroxide by a diferrous compound generates metal-based intermediates identical to those observed with reactions utilizing oxygen-atom-donor molecules.
PubMed:Solvent-solute interactions in hydrofluoroalkane propellants.
PubMed:Nickel complexes of a pincer NN2 ligand: multiple carbon-chloride activation of CH2Cl2 and CHCl3 leads to selective carbon-carbon bond formation.
PubMed:[Research on Raman spectra of 2-methylpentaneat at pressure of 0-1.5 GPa and temperature of 26 degrees C].
PubMed:Detection of methylphenidate in the hair of children treated with Ritalin.
PubMed:Unraveling the reactive species of a functional non-heme iron monooxygenase model using stopped-flow UV-vis spectroscopy.
PubMed:Effects of molecular size and structure on self-diffusion coefficient and viscosity for saturated hydrocarbons having six carbon atoms.
PubMed:Lignans from Schisandra propinqua var. propinqua.
PubMed:Exposure to volatile organic compounds in an ethanol and gasoline service station.
PubMed:Solvent as a competitive inhibitor for Candida antarctica lipase B.
PubMed:Reversal of elution order for profen acid enantiomers in normal phase LC on Chiralpak AD.
PubMed:Emission factors and characteristics of criteria pollutants and volatile organic compounds (VOCs) in a freeway tunnel study.
PubMed:Concentration fluctuations and collective properties in mixed liquid systems: Rayleigh-Brillouin spectra of tert-butyl alcohol/2,2'-dimethylbutane liquid mixture.
PubMed:Comparison of methods to reduce dioxin and polychlorinated biphenyls contents in fishmeal: extraction and enzymatic treatments.
PubMed:A new strategy for the synthesis of taurine derivatives using the 'safety-catch' principle for the protection of sulfonic acids.
PubMed:Formation of trimer and dimer radical cations of methyl-substituted benzenes in gamma-irradiated low-temperature matrices.
PubMed:Analysing selected VVOCs in indoor air with solid phase microextraction (SPME): a case study.
PubMed:Phase equilibrium measurements and crystallographic analyses on structure-H type gas hydrate formed from the CH4-CO2-neohexane-water system.
PubMed:Measurement and estimation of rate constants for the reactions of hydroxyl radical with several alkanes and cycloalkanes.
PubMed:Disturbance of iron metabolism in Parkinson's disease -- ultrasonography as a biomarker.
PubMed:Biological monitoring of experimental human exposure to hydrocarbon solvent mixtures.
PubMed:Supercritical fluid chromatographic analysis for on-line monitoring of hexane removal from soybean oil miscella using liquid carbon dioxide.
PubMed:Adsorption of liquid mixtures on silicalite-1 zeolite: a density-bottle method.
PubMed:Microbial synthesis of chiral amines by (R)-specific transamination with Arthrobacter sp. KNK168.
PubMed:Active sites and states in the heterogeneous catalysis of carbon-hydrogen bonds.
PubMed:Molecular rearrangement. 36. Selective alpha-CH oxidation of alkylarenes by nitrogen dioxide on thermolysis with nitramines.
PubMed:Biochemical characterization of torsinB.
PubMed:Adsorption and reactions of C(6) hydrocarbons at high pressures on Pt(111) single-crystal surfaces studied by sum frequency generation vibrational spectroscopy: mechanisms of isomerization and dehydrocyclization of n-hexane.
PubMed:Novel enantioselective strong cation exchangers based on sulfodipeptide selectors: evaluation for enantiomer separation of chiral bases by nonaqueous capillary electrochromatography.
PubMed:Volatile organic profiles and photochemical potentials from motorcycle engine exhaust.
PubMed:Vascularization and tissue infiltration of a biodegradable polyurethane matrix.
PubMed:Electronic absorption and magnetic circular dichroism spectra for the linear two-coordinate bis(tri-tert-butylphosphine)platinum(0) complex in 2-methylpentane at 295 and 80 K.
PubMed:Corona chemistry in Titan.
PubMed:Influence of solvent and soil type on the pressurised fluid extraction of PAHs.
PubMed:Method for determination of methyl tert-butyl ether in gasoline by gas chromatography.
PubMed:Tunnel study of on-road vehicle emissions and the photochemical potential in Taiwan.
PubMed:Enantiomeric determination of tramadol and its main metabolite O-desmethyltramadol in human plasma by liquid chromatography-tandem mass spectrometry.
PubMed:Chemical constituents of two Chinese Magnoliaceae plants, Tsoongiodendron odorum and Manglietiastrum sinicum, and their inhibition of platelet aggregation.
PubMed:Biodegradability of volatile hydrocarbons of gasoline.
PubMed:Electrocatalysis of NADH oxidation with an electropolymerized film of 1,4-bis(3,4-dihydroxyphenyl)-2,3-dimethylbutane.
PubMed:Analysis of residual solvents in pharmaceuticals with purge-and-membrane mass spectrometry.
PubMed:2-Methylpentane (isohexane). CAS# 107-83-5.
PubMed:Crystallization and preliminary X-ray studies of a recombinant calcium-binding protein from Entamoeba histolytica.
PubMed:Corona discharge of Titan's troposphere.
PubMed:Bis(amido)ruthenium(IV) Complexes with 2,3-Diamino-2,3-dimethylbutane. Crystal Structure and Reversible Ru(IV)-Amide/Ru(III)-Amine and Ru(IV)-Amide/Ru(II)- Amine Redox Couples in Aqueous Solution.
PubMed:Monitoring of exposure to methylpentanes by diffusive sampling and urine analysis for alcoholic metabolites.
PubMed:Cytogenetic studies on commercial hexane solvent.
PubMed:The pulmonary capillary blood flow (Qc) at rest and work measured simultaneously by 3 inert substances.
PubMed:Crystallization and preliminary X-ray studies of the basic lectin from winged bean (Psophocarpus tetragonolobus).
PubMed:[Solvent pollution in shoe factories].
PubMed:Aliphatic hydrocarbon solvents in chemically sensitive patients.
PubMed:Chemistry of Saururus cernuus, VI: Three new neolignans.
PubMed:Crystallization and preliminary X-ray studies of two isolectins from the seeds of Lathyrus ochrus.
PubMed:Gas chromatographic determination for forensic purposes of petroleum fuel inhaled just before fatal burning.
PubMed:Partition coefficients of some industrial aliphatic hydrocarbons (C5-C7) in blood and human tissues.
PubMed:[Proposal for a new method of thermal desorption of solvents from passive personal samplers].
PubMed:Neurotoxic metabolites of "commercial hexane" in the urine of shoe factory workers.
PubMed:Experimental neurotoxicity and urinary metabolites of the C5-C7 aliphatic hydrocarbons used as glue solvents in shoe manufacture.
PubMed:Urinary excretion of the metabolites of n-hexane and its isomers during occupational exposure.
PubMed:A comparative study on the toxicity of n-hexane and its isomers on the peripheral nerve.
PubMed:Measurement of the urinary metabolites of N-hexane, cyclohexane and their isomers by gas chromatography.
PubMed:Biomonitoring of industrial solvent exposures in workers' alveolar air.
PubMed:Solvent exposure in a shoe upper factory. II. Methylcyclopentane, 2-methylpentane, and 3-methylpentane concentration in alveolar and in environmental air and in blood.
PubMed:Crystallization of DNA fragments from water-salt solutions, containing 2-methylpentane-2,3-diol.
PubMed:Cottonseed colour fixed pigments. Part II. Role of hexane isomers on oil quality.
PubMed:Cottonseed colour fixed pigments. Part I. Selectivity of hexane isomers.
PubMed:The influence of 1, 4-dimethylsulfonoxy-1, 4-dimethylbutane (CB 2348, dimethyl myleran) in neoplastic disease.
 
Notes:
None found
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