Results for:
PubChem ID: 7127

1,2-dimethoxy-4-prop-2-enylbenzene

Mass-Spectra

Compound Details

Synonymous names
Allylveratrol
METHYLEUGENOL
Eugenol methylether
ZYEMGPIYFIJGTP-UHFFFAOYSA-N
Allyl veratrole
O-Methyleugenol
Eugenol methyl
Methyl eugenol
Methyl Eugenol Natural
Veratrole methyl ether
4-Allylveratrole
Eugenol methyl ether
Eugenyl methyl ether
Methyl eugenol ether
Methyl eugenyl ether
4-Allylveratrol
AC1Q4FDV
Methyl eugenol, analytical standard
O-Methyl eugenol
3,4-Dimethoxyallylbenzene
Methy l eugenyl ether
o-Methyl eugenol ether
AC1L1O2J
AC1Q46TK
3,4-Dimethoxyallyl benzene
M664
LS-15
NSC8900
2-Methoxy-4-propenylphenol methyl ether
29T9VA6R7M
CCRIS 746
CTK3J0502
ACMC-209rk6
C11H14O2
CHEMBL108861
SCHEMBL113794
C10454
CHEBI:4918
HMS2269M09
HSDB 4504
UNII-29T9VA6R7M
ZINC388674
1,4-Eugenol methyl ether
4-Allyl-1,2-dimethyoxybenzene
AK162493
BBL027720
DTXSID5025607
FEMA Number 2475
FR-0577
NSC-8900
NSC209528
OR002711
OR143573
OR313506
OR377416
SBB007916
STK801819
1-Allyl-3,4-dimethoxybenzene
1,2-Dimethoxy-4-allylbenzene
4-Allyl-1,2-dimethoxybenzene
Dimethoxy-4-(2-propenyl)benzene
DSSTox_CID_5607
AN-24255
ANW-39988
AX8129901
Caswell No. 579AB
DSSTox_GSID_25607
ENT 21040
LS-29885
SCHEMBL10108224
TRA0076734
BB_NC-0711
BDBM50379791
DSSTox_RID_77851
MFCD00008652
ZINC00388674
AI3-21040
DB-002806
Eugenol methyl ether;1,2-Dimethoxy-4-allylbenzene
KB-177539
Methyl eugenol, >=98%, FCC
NSC 209528
NSC-209528
RTR-029187
ST24043178
ST50330558
TR-029187
1,2-Dimethoxy-4-allyl benzene
4-allyl-1,2-dimethoxy-benzene
AKOS015838877
BB_NC-00711
EPA Pesticide Chemical Code 203900
W-100251
1,3,4-Eugenol methyl ether
BRN 1910871
FEMA No. 2475
FT-0626371
MLS001065600
MLS001333205
MLS001333206
SMR000112378
93-15-2
BBV-39688198
Tox21_202347
Tox21_300071
1,2-dimethoxy-4-prop-2-enylbenzene
10005-561a
WLN: 1U2R CO1 DO1
CAS-93-15-2
NCGC00091474-01
NCGC00091474-02
NCGC00091474-03
NCGC00091474-04
NCGC00254085-01
NCGC00259896-01
4-Allyl-1,2-dimethoxybenzene, 99%
EINECS 202-223-0
1,2-Dimethoxy-4-(2-propenyl)benzene
Benzene, 4-allyl-1,2-dimethoxy-
1-(3,4-Dimethoxyphenyl)-2-propene
3-(3,4-dimethoxyphenyl)-1-propene
Benzene,2-dimethoxy-4-(2-propenyl)-
MolPort-000-154-691
Benzene, 4-(2-propenyl)-1,2-dimethoxy
1,2-Dimethoxy-4-(2-propen-1-yl)benzene
Benzene, 1,2-dimethoxy-4-(2-propenyl)-
1,2-dimethoxy-4-(prop-2-en-1-yl)benzene
Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)-
Microorganism:

No

IUPAC name1,2-dimethoxy-4-prop-2-enylbenzene
SMILESCOC1=C(C=C(C=C1)CC=C)OC
InchiInChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3
FormulaC11H14O2
PubChem ID7127
Molweight178.231
LogP2.76
Atoms27
Bonds27
H-bond Acceptor2
H-bond Donor0
Chemical Classificationbenzenoids ethers phenylpropanoids

mVOC Specific Details

Volatilization
The Henry's Law constant for methyleugenol is estimated as 5.6X10-6 atm-cu m/mole(SRC) derived from its extrapolated vapor pressure, 0.012 mm Hg(1), and water solubility, 500 mg/L(2). This Henry's Law constant indicates that methyleugenol is expected to volatilize 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 9 days (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 69 days(SRC). Methyleugenol's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Methyleugenol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical Data; NY,NY: McGraw-Hill 6th ed (1984) (2) Chemicals Inspection and Testing Institute; Biodegradation and Bioaccumulation Data of Existing Chemicals Based on the CSCL Japan. Japan Chemical Industry Ecology - Toxicology and Information Center ISBN 4-89074-101-1 (1992) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Literature: #Methyleugenol dissipates rapidly from both soil and water(1). At 32 deg C, 98% of methyleugenol was lost within 96 hours; 77 and 81% were lost from water and soil, respectively, after 96 hours at 22 deg C(1). These values correspond to a half-life of 6 hours in soil and water at 32 deg C, and half-lives of 16 and 34 hours in soil and water, respectively, at 22 deg C(1).
Literature: (1) Shaver TN, Bull DL; Bull Environ Contam Toxicol 24: 619-26 (1980)
Soil Adsorption
The Koc of methyleugenol is estimated as 140(SRC), using a water solubility of 500 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that methyleugenol is expected to have high mobility in soil. However, the compound was immobile in silty loam, Lufkin fine sandy loam, Houston clay, and Brazos river bottom sand using soil thin layer chromatography(4).
Literature: (1) Chemicals Inspection and Testing Institute; Biodegradation and Bioaccumulation Data of Existing Chemicals Based on the CSCL Japan. Japan Chemical Industry Ecology - Toxicology and Information Center. ISBN 4-89074-101-1 (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Shaver TN; Arch Environ Contam Toxicol 13: 335-40 (1984)
Vapor Pressure
PressureReference
0.012 mm Hg at 25 deg C (extrapolated)Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical data. NY, NY: McGraw-Hill 6th ed (1984)
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiAntrodia Cinnamomea ATCC 200183nanaLu et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiAntrodia Cinnamomea ATCC 200183PDAGC/MSYes