Results for:
PubChem ID: 7463

1-methyl-4-propan-2-ylbenzene

Mass-Spectra

Compound Details

Synonymous names
p-Isopropylmethylbenzene
p-Methylisopropylbenzene
4-Methylisopropylbenzene
Paracymene
Paramethyl-isopropyl-benzene
Camphogen
Dolcymene
HFPZCAJZSCWRBC-UHFFFAOYSA-N
p-Isopropyltoluene
Paracymol
CYMENE
P- Isopropylmethylbenzene
4-Isopropyltoluene
4-Isopropyltoluene|
Cymol
p-Methylcumene
PARACYMENE PF
4-Isopropylbenzyl radical
4-Isopropyltoluol
4-methyl isopropylbenzene
MML
p-Isopropyltoluene, analytical standard
para cymene
Para-cymene
AC1L1OTG
AC1MR1RS
p-Cimene
P-CYMENE
p-Cymol
4-iso-Propyltoluene
p-methyl cumene
p-methyl-Cumene
4-Cymene
4-methyl isopropyl benzene
2-p-Tolylpropane
4-Cymol
p-Cymene, analytical standard
1-Isopropyl-4-methylbenzene
1-Methyl-4-isopropylbenzene
4-Isopropyl-1-methylbenzene
4-Methyl-1-isopropylbenzene
KSC555A9F
ACMC-209sea
NSC4162
1G1C8T1N7Q
CTK4F5092
HMDB05805
S0664
1-isopropyl-4-methyl-Benzene
1-Methyl-4-isopropyl benzene
CHEMBL442915
Cymene, p-
UNII-830CI19HHD component HFPZCAJZSCWRBC-UHFFFAOYSA-N
Benzene,methyl(1-methylethyl)-
bmse000503
C06575
Cumene, p-methyl-
HSDB 5128
UNII-1G1C8T1N7Q
ZINC968246
AK105981
BT000135
DTXSID3026645
LS-2649
NSC 4162
NSC-4162
OR034341
OR109743
OR240709
SBB060399
ZB015527
4-methyl-1-(methylethyl)benzene
CHEBI:28768
DSSTox_CID_6645
Methyl-4-(1-methylethyl)benzene
p-Cymene, 99%
AJ-24581
AN-24528
ANW-41072
CJ-04640
DSSTox_GSID_26645
DSSTox_RID_78172
MFCD00008893
ZINC00968246
AI3-02272
KB-192943
p-Cymene, certified reference material, TraceCERT(R)
ST51046586
TR-030492
1-methyl-4-propan-2-ylbenzene
AKOS000121521
benzene, 1-methyl-4-methylethyl-
W-100013
Benzene, 1-isopropyl-4-methyl-
FEMA No. 2356
FT-0689324
1-(1-methylethyl)-4-methylbenzene
1-Methyl-4-(1-methylethyl)benzene
99-87-6
I14-20073
LMPR0102090014
p-Cymene, >=97%, FG
Tox21_201932
Tox21_300338
F8889-6466
p-Mentha-1,3,5-triene
CAS-99-87-6
1-Methyl-4-(1-methylethyl)-benzene
4939-75-7
BENZENE,1-ISOPROPYL,4-METHYL P-CYMENE
MCULE-1794861612
NCGC00247998-01
NCGC00247998-02
NCGC00254425-01
NCGC00259481-01
EINECS 202-796-7
WLN: 1Y1 & R D1
1-methyl-4-(propan-2-yl)benzene
25155-15-1
4-methyl-1-(propan-2-yl)benzene
Benzene, 1-methyl-4(1-methylethyl)-
Benzene,1-Methyl-4-(1-Methylethyl)-
MolPort-003-929-568
p-Cymene [UN2046] [Flammable liquid]
Benzene, 1-methyl-4-(1-methylethyl)-
ETHYL, 1-METHYL-1-(4-METHYLPHENYL)-
p-Cymene [UN2046] [Flammable liquid]
InChI=1/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H
IUPAC name1-methyl-4-propan-2-ylbenzene
SMILESCC1=CC=C(C=C1)C(C)C
InchiInChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
FormulaC10H14
PubChem ID7463
Molweight134.222
LogP3.73
Atoms24
Bonds24
H-bond Acceptor0
H-bond Donor0
Chemical Classificationbenzenoids alkylbenzenes terpenes

mVOC Specific Details

Volatilization
The Henry's Law constant for p-cymene is estimated as 0.011 atm-cu m/mole(SRC), derived from its vapor pressure, 1.5 mm Hg(1), and water solubility, 23.4 mg/L(2). This Henry's Law constant indicates that p-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 if adsorption is neglected(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 if adsorption is neglected(SRC). The volatilization half-life from a model pond is about 30 days if adsorption is considered(4). p-Cymene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). p-Cymene is expected to volatilize from dry soil surfaces based upon its vapor pressure(SRC).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1996) (2) Banerjee S et al; Environ Sci Technol 11: 1227-29 (1980) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of p-cymene can be estimated to be 1120(SRC). According to a classification scheme(2), this estimated Koc value suggests that p-cymene is expected to have low mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of July 29, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
1.50 mm Hg at 25 deg CDaubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1996)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiHypoxylon Antochroum Blacinaendophytic in Bursera lancifoliaUlloa-Benítez et al., 2016
FungiPenicillium Roqueforti (IBT 16404)n/aobtained fronm department of Biotechnology , Denmark Technical Universität at CopenhagenJelen, 2003
BacteriaPseudomonas Tolaasii NCPPB 2192nanaCantore et al., 2015
BacteriaPseudomonas Tolaasii USB1nanaCantore et al., 2015
BacteriaPseudomonas Tolaasii USB66nanaCantore et al., 2015
FungiPenicillium Polonicumnawater damaged buildings, BelgiumPolizzi et al., 2012
FungiTrichoderma Atroviridenawater damaged buildings, BelgiumPolizzi et al., 2012
FungiTuber Magnatumn/aItalian geographical areas (Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche, Tuscany, Molise)Gioacchini et al., 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiHypoxylon Antochroum BlaciPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSNo
FungiPenicillium Roqueforti (IBT 16404) wheat kernel mediumincubated at 20°C for 14 days, isolation by SPME with different fibres
BacteriaPseudomonas Tolaasii NCPPB 2192KBSPME-GC
BacteriaPseudomonas Tolaasii USB1KBSPME-GC
BacteriaPseudomonas Tolaasii USB66KBSPME-GC
FungiPenicillium Polonicummalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
FungiTrichoderma Atroviridemalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
FungiTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)