Results for:
PubChem ID: 853433

2-methoxy-4-[(E)-prop-1-enyl]phenol

Compound Details

Synonymous names
Isoeugenol
97-54-1
(E)-Isoeugenol
trans-Isoeugenol
2-Methoxy-4-propenylphenol
4-Propenylguaiacol
2-methoxy-4-(prop-1-en-1-yl)phenol
5932-68-3
4-Hydroxy-3-methoxy-1-propenylbenzene
Isoeugenol trans-form
trans-p-Propenylquaiacol
4-Hydroxy-3-methoxypropenylbenzene
(E)-2-Methoxy-4-(prop-1-enyl)phenol
2-METHOXY-4-(1-PROPENYL)PHENOL
Phenol, 2-methoxy-4-propenyl-
1-Hydroxy-2-methoxy-4-propenylbenzene
trans-2-Methoxy-4-propenylphenol
Propenylguaiacol
Isoeugenol (I)
Phenol, 2-methoxy-4-(1-propenyl)-
2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol
2-methoxy-4-[(E)-prop-1-enyl]phenol
1-Hydroxy-2-methoxy-4-propen-1-ylbenzene
Propenylgualacol
Iso-eugenol
NCI-C60979
3-Methoxy-4-hydroxypropenylbenzene
3-Methoxy-4-hydroxy-1-propen-1-ylbenzene
NSC 6769
Phenol, 2-methoxy-4-propenyl-, (E)-
Isoeugenol and isomers
CHEBI:50545
1-(3-Methoxy-4-hydroxyphenyl)-1-propene
4-Hydroxy-3-methoxy-1-propen-1-ylbenzene
(E)-2-Methoxy-4-(prop-1-en-1-yl)phenol
Phenol, 2-methoxy-4-(1-propenyl)-, (E)-
trans-4-Propenylgualacol
28FSR1NAY4
CHEMBL193598
Isoeugenol,c&t
NSC-209522
2-Methoxy-4-[(1E)-1-propenyl]phenol
NCGC00091470-02
Phenol, 2-methoxy-4-(1-propen-1-yl)-
Isoeugenol,predominantly trans
DTXCID502413
2-Methoxy-4-[1-propenyl]phenol
UIL135434
3-Methoxy-4-hydroxy-1-propenylbenzene
CAS-97-54-1
CCRIS 744
FEMA No. 2468
2-methoxy-4-propenyl-Phenol
4-06-00-06324 (Beilstein Handbook Reference)
EINECS 202-590-7
EINECS 227-678-2
UNII-28FSR1NAY4
DTXSID7022413
NSC 209522
BRN 1909602
BRN 2046156
isougenol
UNII-5M0MWY797U
isoeugenol fcc
isoeugenol tech
e-isoeugenol
1-(3-Methoxy-4-hydroxyphenyl)-1-propane
Iso eugenol
AI3-15356
Isoeugenol E
Isoeugenol Z
HSDB 8044
iso-Eugenol 2
isoeugenol 916
CHISOEUG
iso eugenol 88%+
isoeugenol extra nat us
Phenol, (E)-
Phenol, 2-methoxy-4-(1E)-1-propenyl-
ISOEUGENOL, E-
Isoeugenol, cis + trans
ISOEUGENOL, TRANS-
bmse010052
ISOEUGENOL, (E)-
IE TRANS 92
SCHEMBL57986
3-06-00-04993 (Beilstein Handbook Reference)
MLS001065576
BIDD:ER0697
WLN: 2U1R DQ CO1
Isoeugenol, analytical standard
Isoeugenol, predominantly trans
5M0MWY797U
(E)-4-PROPENYLGUAIACOL
Isoeugenol, natural, 99%, FG
DTXSID50872350
NSC6769
HMS2268O09
WLN: 2U1R DQ CO1 -E
(E)-2-methoxy-4-propenyl-Phenol
2-methoxy-4-(1-propenyl)-Phenol
ISOEUGENOL TRANS-FORM [MI]
HY-N1952
NSC-6769
Tox21_111138
Tox21_202433
Tox21_300303
BDBM50548724
MFCD00009285
NSC209522
s5757
STL264281
AKOS000120575
Tox21_111138_1
DB14188
trans-2-methoxy-4-(1-propenyl)phenol
(E)-2-methoxy-4-(1-propenyl)-Phenol
2-Methoxy-4-propenylphenol (isoeugenol)
NCGC00091470-01
NCGC00091470-03
NCGC00091470-04
NCGC00091470-05
NCGC00254142-01
NCGC00259982-01
(E)-2-methoxy-4- (1-propenyl)-Phenol
AC-34996
AS-61702
SMR000112408
(E)-2-Methoxy-4-(1-propen-1-yl)phenol
DB-290080
Isoeugenol 2000 microg/mL in Acetonitrile
CS-0018270
I0132
NS00012699
(E)-2-METHOXY-4-(1-PROPENYL)PHENOL
EN300-18429
2-methoxy-4-(1-propenyl)phenol (ACD/Name 4.0)
Isoeugenol, predominantly trans, analytical standard
Q27889971
Z57953030
F1905-7039
Microorganism:

Yes

IUPAC name2-methoxy-4-[(E)-prop-1-enyl]phenol
SMILESCC=CC1=CC(=C(C=C1)O)OC
InchiInChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+
FormulaC10H12O2
PubChem ID853433
Molweight164.2
LogP2.6
Atoms12
Bonds2
H-bond Acceptor2
H-bond Donor1
Chemical Classificationphenylpropenes terpenes
CHEBI-ID18224
Supernatural-IDSN0027148-02

mVOC Specific Details

Boiling Point
DegreeReference
266 °C peer reviewed
Volatilization
The Henry's Law constant for isoeugenol is estimated as 3.6X10-6 atm-cu m/mole(SRC) derived from its extrapolated vapor pressure, 0.0135 mm Hg at 25 °C(1), and water solubility, 810 mg/L at 25 °C(2). This Henry's Law constant indicates that isoeugenol 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 13 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 100 days(SRC). Isoeugenol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Isoeugenol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of isoeugenol can be estimated to be 680(SRC). According to a classification scheme(2), this estimated Koc value suggests that isoeugenol is expected to have low mobility in soil.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaLactobacillus PlantarumNAYang et al. 2022
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaLactobacillus Plantarumginkgo biloba kernel juicetriple quadrupole GC-MSno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno