Results for:
PubChem ID: 7407

Prop-1-en-2-ylbenzene

Compound Details

Synonymous names
alpha-Methylstyrene
98-83-9
2-Phenylpropene
2-Phenyl-1-propene
Isopropenylbenzene
prop-1-en-2-ylbenzene
Benzene, (1-methylethenyl)-
2-Phenylpropylene
1-Methyl-1-phenylethylene
a-Methylstyrene
(1-Methylethenyl)benzene
alpha-Methylstyrol
1-Phenyl-1-methylethylene
ALPHA-METHYL STYRENE
.alpha.-Methylstyrene
as-Methylphenylethylene
beta-Phenylpropene
beta-Phenylpropylene
1-Methyl-1-phenylethene
1-Propene, 2-phenyl-
Isopropenyl-benzol
Isopropenil-benzolo
Isopropenyl-benzeen
25014-31-7
2-Phenyl-2-propene
alpha-methyl-styrene
.alpha.-Methylstyrol
.beta.-Phenylpropylene
Styrene, .alpha.-methyl-
NSC 9400
(Prop-1-en-2-yl)benzene
isopropenyl-benzene
.beta.-Phenylpropene
.alpha.-Methylstyreen
Benzene, isopropenyl-
.alpha.-Metil-stirolo
alpha-Methylstyrene (stabilized with TBC)
alpha-Methylstyrene, stabilized
DTXSID9025661
CHEBI:35060
D46R9753IK
a-methyl styrene
NSC-9400
1-MethylethenylBenzine
1-Methylethylenebenzene
alpha Methylstyrene
alpha-Methylstyreen
alpha-Methylstyreen [Dutch]
Isopropenyl-benzeen [Dutch]
Isopropenyl-benzol [German]
alpha-Menthylstyrene
alpha-Methyl-styrol
alpha-Metil-stirolo
alpha-Methyl-styrol [German]
Isopropenil-benzolo [Italian]
alpha-Metil-stirolo [Italian]
CCRIS 6067
HSDB 196
Styrene, alpha-methyl-
EINECS 202-705-0
UN2303
UNII-D46R9753IK
AI3-18133
alphamethylstyrene
2-phenyl-propene
alphamethyl styrene
MFCD00008859
2-phenylprop-1-ene
Ortho brush killer a
2-phenyl-1-propylene
.alpha.-Methyl-styrol
?-METHYLSTYROL
EC 202-705-0
alpha -Methylstyrene monomer
1-METHYLVINYL BENZENE
ghl.PD_Mitscher_leg0.286
MLS001055493
BIDD:ER0701
DTXCID905661
CHEMBL1344773
WLN: 1YR & U1
.ALPHA.-METHYLVINYLBENZENE
NSC9400
ALPHA-METHYLSTYRENE [HSDB]
HMS3039N11
Tox21_200159
AKOS009031371
CS-W004075
MCULE-3507413504
UN 2303
CAS-98-83-9
NCGC00090741-01
NCGC00090741-02
NCGC00257713-01
BS-22949
SMR000686066
M0429
NS00009680
EN300-19672
alpha-Methylstyrene monomer, analytical standard
Isopropenylbenzene [UN2303] [Flammable liquid]
Q414195
J-510246
99%,contains 15 ppm p-tert-butylcatechol as inhibitor
F0001-2321
(1-Methylethenyl)-benzene contains 15 ppm p-tert-butylcatechol as inhibitor
alpha-Methylstyrene, 99%, contains 15 ppm p-tert-butylcatechol as inhibitor
InChI=1/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H
alpha-Methylstyrene, 99%, contains 15 ppm 4-tert-Butylcatechol as stabilizer
Microorganism:

Yes

IUPAC nameprop-1-en-2-ylbenzene
SMILESCC(=C)C1=CC=CC=C1
InchiInChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
FormulaC9H10
PubChem ID7407
Molweight118.18
LogP3.5
Atoms9
Bonds1
H-bond Acceptor0
H-bond Donor0
Chemical Classificationbenzenoids phenylpropenes aromatic compounds
CHEBI-ID35060
Supernatural-IDSN0443450

mVOC Specific Details

Boiling Point
DegreeReference
165.4 °C peer reviewed
Volatilization
The Henry's Law constant for alpha-methylstyrene is estimated as 2.6X10-3 atm-cu m/mole(SRC) derived from its vapor pressure, 1.9 mm Hg(1), and water solubility, 116 mg/l(2). This Henry's Law constant indicates that alpha-methylstyrene 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 4 hrs(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). alpha- Methylstyrene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of alpha-methylstyrene from dry soil surfaces may exist(SRC) based upon a vapor pressure of 1.9 mm Hg(1).
Soil Adsorption
The Koc of alpha-methylstyrene is estimated as 1,900(SRC), using a log Kow of 3.48(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that alpha-methylstyrene is expected to have low mobility in soil(SRC).
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaCandida AlbicansATCC MYA-2876, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida GlabrataATCC 90030, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida TropicalisATCC 750, American Type Culture CollectionCosta et al. 2020
ProkaryotaBacillus Subtilispromote biomass production of Arabidopsis thalianarhizosphere of Haloxylon ammodendronHe et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
ProkaryotaBacillus Subtilis1/2 MS mediaSPME/GC-MSno