Results for:
chemical Classification: benzenoides

1-methyl-3-propan-2-ylbenzene

Mass-Spectra

Compound Details

Synonymous names
m-Methylisopropylbenzene
meta-isopropyltoluene
3-Methylisopropylbenzene
XCYJPXQACVEIOS-UHFFFAOYSA-N
m-Isopropyltoluene
3-Isopropyltoluene
meta-cymene
beta-Cymene
M-CYMENE
m-Cymol
AC1L1VZZ
ACMC-1BMPS
m-Cymene, analytical standard
1-Isopropyl-3-methylbenzene
3-Methyl-1-isopropylbenzene
1-Methyl-3-isopropylbenzene
5135AE
.beta.-Cymene
ARONIS24108
C0798
CTK8B1847
NSC73975
1-Methyl-3-isopropyl benzene
UNII-830CI19HHD component XCYJPXQACVEIOS-UHFFFAOYSA-N
10ZH8R921S
HSDB 3428
SBB061535
OR009095
DTXSID2060206
OR111539
m-Cymene, 99%
UNII-10ZH8R921S
3-methyl-1-(methylethyl)benzene
Z-0808
ZINC1699438
FCH1115287
NSC 73975
NSC-73975
LS-30888
CJ-28584
CC-30175
ANW-31802
ZX-AS004458
ZINC01699438
C-34791
MFCD00008891
TR-018955
ST51047540
1-methyl-3-propan-2-ylbenzene
AKOS005110997
BRN 1851357
FT-0682671
I01-13192
1-Methyl-3-(1-methylethyl)benzene
535-77-3
1-methyl-3-(1-methylethyl) benzene
MCULE-5480201967
1-Methyl-3-(1-methylethyl)-benzene
EINECS 208-617-9
1-methyl-3-(propan-2-yl)benzene
MolPort-003-928-676
m-cymene [UN2046] [Flammable liquid]
Benzene, 1-methyl-3-(1-methylethyl)-
m-cymene [UN2046] [Flammable liquid]
4-05-00-01058 (Beilstein Handbook Reference)
IUPAC name1-methyl-3-propan-2-ylbenzene
SMILESCC1=CC(=CC=C1)C(C)C
InchiInChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3
FormulaC10H14
PubChem ID10812
Molweight134.222
LogP3.73
Atoms24
Bonds24
H-bond Acceptor0
H-bond Donor0
Chemical Classificationbenzenoids alkylbenzenes benzenoides alkylbenzenoids

mVOC Specific Details

Boiling Point
DegreeReference
175 deg CHaynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 94th Edition. CRC Press LLC, Boca Raton: FL 2013-2014, p. 3-334
Volatilization
The Henry's Law constant for m-cymene is estimated as 7.15X10-3 atm-cu m/mole(SRC) derived from its vapor pressure, 1.72 mm Hg(1), and water solubility, 42.5 mg/L(2). This Henry's Law constant indicates that m-cymene 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 3.5 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 4.6 days(SRC). m-Cymene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of m-cymene from dry soil surfaces may exist based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1989) (2) Lun R et al; J Chem Eng Data 42: 951-53 (1997) (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 m-cymene can be estimated to be 1120(SRC). According to a classification scheme(2), this estimated Koc value suggests that m-cymene is expected to have low mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011. Available from, as of Nov 6, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
1.72 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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiHypoxylon Antochroum Blacinaendophytic in Bursera lancifoliaUlloa-Benítez et al., 2016
BacteriaPseudomonas Brassicacearum USB2104reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cellsrhizosphere of bean plants, southern ItalyGiorgio et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiHypoxylon Antochroum BlaciPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSNo
BacteriaPseudomonas Brassicacearum USB2104King's B AgarSPME-GC/MSNo