Results for:
PubChem ID: 10812

1-methyl-3-propan-2-ylbenzene

Mass-Spectra

Compound Details

Synonymous names
M-CYMENE
535-77-3
1-Isopropyl-3-methylbenzene
3-Isopropyltoluene
m-Isopropyltoluene
m-Cymol
m-Methylisopropylbenzene
beta-Cymene
1-Methyl-3-isopropylbenzene
Benzene, 1-methyl-3-(1-methylethyl)-
1-Methyl-3-(1-methylethyl)benzene
1-methyl-3-propan-2-ylbenzene
meta-cymene
NSC 73975
HSDB 3428
.beta.-Cymene
EINECS 208-617-9
3-Methyl-1-isopropylbenzene
UNII-10ZH8R921S
BRN 1851357
10ZH8R921S
NSC-73975
CYMENE, M-
1-Methyl-3-(1-methylethyl)-benzene
DTXSID2060206
4-05-00-01058 (Beilstein Handbook Reference)
m-cymene [UN2046] [Flammable liquid]
m-Cymene, 99%
3-Methylisopropylbenzene
m-cymene [UN2046] [Flammable liquid]
M-CYMENE [HSDB]
M-CYMENE [MI]
m-Mentha-1,3,5-triene
m-Cymene, analytical standard
1-Methyl-3-isopropyl benzene
DTXCID9041449
1-methyl-3-(propan-2-yl)benzene
NSC73975
MFCD00008891
1-methyl-3-(1-methylethyl) benzene
AKOS005110997
MCULE-5480201967
1-Methyl-3-(1-methylethyl)benzene, 9CI
C0798
CS-0331846
NS00020834
T71023
Q27251197
Microorganism:

Yes

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
Molweight134.22
LogP4
Atoms10
Bonds1
H-bond Acceptor0
H-bond Donor0
Chemical Classificationaromatic compounds alkylbenzenes benzenoids
Supernatural-IDSN0426791

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
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaHypoxylon AnthochroumNAMacías-Rubalcava et al. 2018
EukaryotaHypoxylon Anthochroumnaendophytic in Bursera lancifoliaUlloa-Benítez et al. 2016
ProkaryotaPseudomonas Brassicacearumreduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cellsrhizosphere of bean plants, southern ItalyGiorgio et al. 2015
Fusarium GraminearumBallot et al. 2023
Kluyveromyces MarxianusJi et al. 2024
Saccharomyces CerevisiaeJi et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaHypoxylon Anthochroumrice medium (RM, 300g of rice and 300ml of water)SPME, GC-MSyes
EukaryotaHypoxylon AnthochroumPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSno
ProkaryotaPseudomonas BrassicacearumKing's B AgarSPME-GC/MSno
Fusarium Graminearumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno
Kluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno
Saccharomyces CerevisiaeSauce Meat during StorageSPME–GC–MSno