Results for:
PubChem ID: 7127

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

Mass-Spectra

Compound Details

Synonymous names
Methyl eugenol
METHYLEUGENOL
93-15-2
4-Allyl-1,2-dimethoxybenzene
Eugenol methyl ether
4-Allylveratrole
O-Methyleugenol
Eugenyl methyl ether
Methyl eugenol ether
Veratrole methyl ether
Methyl eugenyl ether
1,2-Dimethoxy-4-(2-propenyl)benzene
Benzene, 1,2-dimethoxy-4-(2-propenyl)-
1-Allyl-3,4-dimethoxybenzene
3,4-Dimethoxyallylbenzene
1,2-dimethoxy-4-prop-2-enylbenzene
Benzene, 4-allyl-1,2-dimethoxy-
1,3,4-Eugenol methyl ether
1,2-Dimethoxy-4-allylbenzene
1-(3,4-Dimethoxyphenyl)-2-propene
3-(3,4-dimethoxyphenyl)-1-propene
ENT 21040
FEMA No. 2475
4-allyl-1,2-dimethoxy-benzene
Eugenol methyl
NSC 209528
4-Allyl-1,2-dimethyoxybenzene
1,2-Dimethoxy-4-(2-propen-1-yl)benzene
1,2-dimethoxy-4-(prop-2-en-1-yl)benzene
MFCD00008652
29T9VA6R7M
CHEBI:4918
DTXSID5025607
Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)-
NSC-8900
NSC-209528
Benzene, 4-(2-propenyl)-1,2-dimethoxy
1,4-Eugenol methyl ether
O-Methyl eugenol
DTXCID505607
WLN: 1U2R CO1 DO1
TRIDEUTEROMETHYL EUGENOL
Allylveratrol
Caswell No. 579AB
FEMA Number 2475
Benzene,2-dimethoxy-4-(2-propenyl)-
CAS-93-15-2
SMR000112378
CCRIS 746
HSDB 4504
o-Methyl eugenol ether
EINECS 202-223-0
EPA Pesticide Chemical Code 203900
BRN 1910871
UNII-29T9VA6R7M
AI3-21040
Methyleugenol,(S)
methyl ester eugenol
Eugenol-methyl ether
METHYLCHAVIBETOL
METHYLEUGENOL [MI]
EC 202-223-0
Allyl-1,2-dimethoxybenzene
METHYLEUGENOL [HSDB]
METHYLEUGENOL [IARC]
METHYL EUGENOL [FCC]
VERATROLE, 4-ALLYL-
MLS001065600
MLS001333205
MLS001333206
CHAVIBETOL METHYL ETHER
METHYL EUGENOL [INCI]
SCHEMBL113794
CHEMBL108861
1,2-Dimethoxy-4-allyl benzene
4-Allyl-1, 2-dimethoxybenzene
SCHEMBL10108224
FEMA 2475
Methyl eugenol, >=98%, FCC
NSC8900
HMS2269M09
HMS3886M22
Methyl eugenol, analytical standard
EUGENYL METHYL ETHER [FHFI]
HY-N6996
Tox21_202347
Tox21_300071
BBL027720
BDBM50379791
ENT-21040
NSC209528
STK801819
4-Allyl-1,2-dimethoxybenzene, 99%
AKOS015838877
1-(3, 4-Dimethoxyphenyl)-2-propene
CS-W017325
Dimethoxy-4-(prop-2-en-1-yl)benzene
1, 2-Dimethoxy-4-(2-propenyl)benzene
NCGC00091474-01
NCGC00091474-02
NCGC00091474-03
NCGC00091474-04
NCGC00254085-01
NCGC00259896-01
AC-34351
AS-14807
DB-002806
D1360
NS00009255
S5755
E80630
EN300-698375
Q419829
W-100251
Z1255398904
METHYLEUGENOL (CONSTITUENT OF HOLY BASIL LEAF) [DSC]
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
Molweight178.23
LogP2.5
Atoms13
Bonds4
H-bond Acceptor2
H-bond Donor0
Chemical Classificationphenylpropenes benzenoids ethers aromatic compounds terpenes
CHEBI-ID4918
Supernatural-IDSN0483473

mVOC Specific Details

Boiling Point
DegreeReference
254.7 °C peer reviewed
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
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
EukaryotaAntrodia CinnamomeananaLu et al. 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber Melanosporumn/an/ano
EukaryotaAntrodia CinnamomeaPDAGC/MSyes