Results for:
PubChem ID: 637563

1-methoxy-4-[(E)-prop-1-enyl]benzene

Mass-Spectra

Compound Details

Synonymous names
para-methoxyphenylpropene'
p-Propenylmethoxybenzene
isoestragol>
Isoestragole
trans-p-Methoxypropenylbenzene
4-Methoxypropenylbenzene
Aniskampfer
ANETHOLE
Monasirup
p-propenylanisol>
p-Propenylanisole
RUVINXPYWBROJD-ONEGZZNKSA-N
Anethol
Anise camphor
Nauli ''gum''
trans-Anethol
trans-Anethole
trans-p-Propenylanisole
4-Propenylanisole
AC1LCUHK
Methoxy-4-propenylbenzene
Nauli 'gum'
p-Propenylphenyl methyl ether
trans-Anethole, primary pharmaceutical reference standard
Acintene O
E-anethole
Nauli gum
p-Anethole
p-Methoxy-beta-methylstyrene
t-anethole
trans-Anise camphor
trans-Anethole, analytical standard
trans-p-Anethole
trans-p-Methoxy-beta-methylstyrene
Oil of aniseed
p-1-Propenylanisole
Q3JEK5DO4K
Anethol (synthetic)
1-Methoxy-4-propenylbenzene
4-Methoxy-1-propenylbenzene
trans-1-p-Anisylpropene
UNII-Q3JEK5DO4K
AC1Q56Q9
Anethol, trans-
Anethole [USAN]
Anethole, trans-
Anisole, trans-
trans-Anethole (natural)
Anethole (NF)
NSC4018
SCHEMBL48599
trans-Anethole, pharmaceutical secondary standard; traceable to USP
(E)-Anethol
(E)-Anethole
(E)-p-Propenylanisole
1-(p-Methoxyphenyl)propene
Anisole, p-propenyl-
DSSTox_CID_87
p-Methoxy-.beta.-methylstyrene
P0494
X8716
Z4733
1-p-Methoxyphenylpropene, trans-
CHEMBL452630
Methoxy-beta-methylstyrene, trans-p-
NE10646
trans-1-(p-Methoxyphenyl)propene
trans-Anethole, 99%
trans-p-Methoxy-.beta.-methylstyrene
UNII-A79C64YD3Q component RUVINXPYWBROJD-ONEGZZNKSA-N
Anethole, United States Pharmacopeia (USP) Reference Standard
C10428
CCRIS 2481
CCRIS 6211
CHEBI:2716
D02377
HMS1922I20
HMS2089P20
HMS2093I09
HSDB 1427
p-(1-Propenyl)anisole
SPECTRUM1503705
UNII-21C2F5E8RE
ZINC967630
(E)-1-p-Methoxyphenylpropene
AK111252
BBL027751
BT000155
DR000142
DS-2756
DTXSID9020087
FEMA Number 2086
HY-B0900
Jsp000441
LS-2410
NSC 4018
NSC-4018
NSC209529
NSC758626
OR196557
OR269214
STK801277
ZB015469
CHEBI:35616
4-(1-propenyl)anisole
AJ-24537
AK-93416
AN-18858
BSPBio_002818
Caswell No. 051B
CCG-38720
CJ-04629
DSSTox_GSID_20087
KB-81234
SC-47202
ST2408089
BB_NC-0676
DSSTox_RID_75356
ghl.PD_Mitscher_leg0.12
MFCD00009284
Spectrum5_000727
T6646998
trans-4-(1-Propenyl)anisole
ZINC00967630
AI3-00380
KB-219117
NSC 209529
NSC-209529
NSC-758626
RTR-030614
ST50330583
TC-138812
TR-030614
WLN: 2U1R DO1
AKOS000121299
EPA Pesticide Chemical Code 015604
Q-201853
W-108812
BRN 0636190
BRN 0774229
FEMA No. 2086
FT-0600040
FT-0623935
FT-0686721
Anisole, p-propenyl-, trans-
1-Methoxy-4-(1-propenyl)benzene
Tox21_202282
Tox21_300132
trans-1-(p-Methoxyphenyl)-1-propene
104-46-1
Anethol, natural, 99%, FG
I14-111054
Propene, 1-(p-methoxyphenyl)-
Benzene,1-methoxy-4- -,oxidized
trans-1-Methoxy-4-(1-propenyl)benzene
(E)-1-(4-Methoxyphenyl)propene
4180-23-8
8022-08-0
NCGC00091493-02
NCGC00091493-03
NCGC00091493-04
NCGC00091493-05
NCGC00091493-06
NCGC00091493-07
NCGC00254015-01
NCGC00259831-01
trans-1-(4-Methoxyphenyl)-1-propene
trans-Anethole, >=99%, FCC, FG
WLN: 2U1R DO1 -T
1-Methoxy-4-[1-propenyl]benzene #
AB00053256_03
AB00053256-02
EINECS 203-205-5
EINECS 224-052-0
EINECS 256-753-2
12002-40-3
50770-19-9
57131-42-7
85681-56-7
Pharmakon1600-01503705
Propenylanisole, p-, (E)-
trans''-1-methoxy-4-(prop-1-enyl)benzene
Benzene, 1-methoxy-4-(propenyl)-
BENZENE,1-METHOXY,4-PROPENYL(TRANS) TRANS ANETHOL
CAS-4180-23-8
SR-05000001866
109957-71-3
SBI-0052758.P002
MolPort-002-507-189
MolPort-004-288-385
1-Propene, 1-(4-methoxyphenyl)-
Anisole, p-propenyl-, (E)-
1-(4-Methoxyphenyl)-1(3)-propene
methyl 4-(prop-1-en-1-yl)phenyl ether
(E)-1-Methoxy-4-(1-propenyl)benzene
Benzene, 1-methoxy-4-(1-propenyl)-
SR-05000001866-2
trans-Anethole, purum, >=98.0% (GC)
1-((1E)prop-1-enyl)-4-methoxybenzene
1-Methoxy-4-((1E)-1-propenyl)benzene
1-Methoxy-4-(prop-1-en-1-yl)benzene
1-methoxy-4-[(E)-prop-1-enyl]benzene
Benzene, 1-methoxy-4-(1E)-1-propenyl-
1-Methoxy-4-(1-propenyl)benzene, (E)-
2-06-00-00523 (Beilstein Handbook Reference)
4-06-00-03796 (Beilstein Handbook Reference)
Anisole, p-propenyl-, (E)- (8CI)
Benzene, 1-methoxy-4-(1-propen-1-yl)-
BRD-K49060658-001-01-5
Benzene,1-Methoxy-4-(1-Propenyl)-,(E)-
(E)-1-Methoxy-4-(prop-1-en-1-yl)benzene
1-methoxy-4-[(1E)-prop-1-en-1-yl]benzene
Benzene, 1-methoxy-4-(1E)-1-propen-1-yl-
Benzene, 1-methoxy-4-(1-propenyl)-, (E)-
1-(methyloxy)-4-[(1E)-prop-1-en-1-yl]benzene
InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3
Microorganism:

Yes

IUPAC name1-methoxy-4-[(E)-prop-1-enyl]benzene
SMILESCC=CC1=CC=C(C=C1)OC
InchiInChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+
FormulaC10H12O
PubChem ID637563
Molweight148.205
LogP2.94
Atoms23
Bonds23
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids ethers alkenes phenylpropanoids

mVOC Specific Details

Volatilization
The Henry's Law constant for anethole can be estimated to be 7.18X10-5 atm-cu m/mole using a structure estimation method(1). This value of Henry's Law constant indicates that volatilization from water is not rapid but possibly significant(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep flowing 1 m/sec with a wind velocity of 3 m/sec) can be estimated to be about 18 hours(2). The volatilization half-life from a model environmental lake (1 meter deep) can be estimated to be about 9 days(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods Washington DC: Amer Chem Soc p.1515 to 15-29 (1990)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indexes, the Koc for anethole can be estimated to be about 680(1). The Koc for anethole can be estimated to be about 327 based on an experimental water solubility of 111 mg/L(3) and a regression derived equation(2). According to a suggested classification scheme(4), these estimated Koc values suggest that anethole has medium to low soil mobility.
Literature: (1) Meylan WM et al; Environ Sci Technol 28: 459-65 (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9, 5-4, 5-10, 7-4, 7-5, 15-15 to 15-32 (1990) (3) Yalkowsky SH; Arizona Database of Aqueous Solubilities. Univ of AZ, College of Pharmacy (1989) (4) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
5.45 Pa @ 294 deg KDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTuber Melanosporumn/an/a
FungiGanoderma LucidumnaGC/MSNo