Results for:
PubChem ID: 7892

2-methylpentane

Mass-Spectra

Compound Details

Synonymous names
Dimethylpropylmethane
Methylpentane
AFABGHUZZDYHJO-UHFFFAOYSA-N
Isohexane
Methyl pentane
2-Methylpentan
2-METHYLPENTANE
Hexanes, Environmental Grade
iso-Hexan
iso-hexane
AC1L1PSI
i-hexane
2-Methylpentane, analytical standard
2-Methyl pentane
2-Methyl-pentane
AC1Q1PA8
1,1-Dimethylbutane
49IB0U6MLD
KSC175K7T
Pentane, methyl-
ACMC-1C05Z
CHEMBL30909
Hexanes [FCC]
UNII-49IB0U6MLD
CTK0H5579
M0382
Isohexanes (mixture of isomeric branched chain hexanes)
NSC66496
UNII-RQA19361ZA component AFABGHUZZDYHJO-UHFFFAOYSA-N
2-Methylpentane, >=99%
HSDB 1125
LTBB004353
DTXSID4029143
OR035192
OR133568
OR236463
OR270587
OR321078
A801767
CHEBI:88374
DSSTox_CID_9143
Pentane, 2-methyl-
PENTYL, 4-METHYL-
ZINC1693924
AN-22488
ANW-15852
CJ-06564
DSSTox_GSID_29143
FCH1112919
KB-69057
NSC 66496
NSC-66496
TRA0035724
DSSTox_RID_78680
MFCD00009406
MFCD02179311
2-Methylpentane, 5.0%
ACM43133955
AI3-28851
KB-173815
LS-101732
RTR-001868
TR-001868
AKOS015907782
I14-2688
FT-0613068
FT-0645102
I14-62403
I14-94579
Tox21_200470
107-83-5
PROPYL, 1-ETHYL-2-METHYL-
WLN: 3Y1 & 1
Hexanes, (60% n-hexane)
(CH3)2CH(CH2)2CH3
MCULE-9604552974
NCGC00248641-01
NCGC00258024-01
CAS-107-83-5
EINECS 203-523-4
2-Methylpentane, 99% 100ml
43133-95-5
73513-42-5
2-Methylpentane, >=95.0% (GC)
32368-EP2272842A1
32368-EP2280006A1
32368-EP2281815A1
32368-EP2292615A1
32368-EP2292619A1
32368-EP2301928A1
32368-EP2301929A1
32368-EP2301933A1
32368-EP2301935A1
32368-EP2305640A2
32368-EP2305652A2
32368-EP2305659A1
32368-EP2305671A1
32368-EP2305674A1
32368-EP2311818A1
32368-EP2311827A1
32412-EP2269986A1
32412-EP2272834A1
32412-EP2281815A1
32412-EP2281819A1
32412-EP2292228A1
32412-EP2292615A1
32412-EP2292619A1
32412-EP2292622A1
32412-EP2301928A1
32412-EP2301929A1
32412-EP2301933A1
32412-EP2301935A1
32412-EP2305640A2
32412-EP2305674A1
32412-EP2308840A1
32412-EP2311818A1
32412-EP2311827A1
77844-EP2298773A1
77844-EP2308866A1
92813-EP2305649A1
92813-EP2380568A1
InChI=1/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H
Microorganism:

Yes

IUPAC name2-methylpentane
SMILESCCCC(C)C
InchiInChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3
FormulaC6H14
PubChem ID7892
Molweight86.178
LogP2.97
Atoms20
Bonds19
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkanes

mVOC Specific Details

Volatilization
The Henry's Law constant for 2-methylpentane is estimated as 1.7 atm-cu m/mole(SRC) derived from its vapor pressure, 211 mm Hg(1), and water solubility, 14.2 mg/L(2). This Henry's Law constant indicates that 2-methylpentane is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 3 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 4 days(SRC). 2-Methylpentane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 2-methylpentane from dry soil surfaces may exist (SRC) based upon a vapor pressure of 211 mm Hg(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Institute for Physical Property Data, American Institute of Chemical Engineers. New York, NY: Hemisphere Pub. Corp., 4 Vol. (1989) (2) Yalkowsky SH et al; Handbook of Aqueous Solubility Data. 2nd ed. Boca Raton, FL: CRC Press p. 320 (2010) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of 2-methylpentane can be estimated to be 610(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2-methylpentane is expected to have low mobility in soil. A sorption experiment using lignite samples resulted in a log Kd of 2.92 for 2-methylpentane(3).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 20, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Endo S et al; Environ Sci Technol 42: 5897-5903 (2008)
Vapor Pressure
PressureReference
211 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTrichodema Pseudokoningiin/aWheatley et al., 1997
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTrichodema PseudokoningiiMalt extractGC/MS