Results for:
PubChem ID: 3314

2-methoxy-4-prop-2-enylphenol

Mass-Spectra

Compound Details

Synonymous names
eugenol
97-53-0
4-Allyl-2-methoxyphenol
4-Allylguaiacol
Eugenic acid
Allylguaiacol
p-Eugenol
Caryophyllic acid
p-Allylguaiacol
2-Methoxy-4-prop-2-enylphenol
2-Methoxy-4-allylphenol
Phenol, 2-methoxy-4-(2-propenyl)-
Engenol
1,3,4-Eugenol
2-Methoxy-4-(2-propenyl)phenol
5-Allylguaiacol
Synthetic eugenol
1-Hydroxy-2-methoxy-4-allylbenzene
4-Allylcatechol-2-methyl ether
2-Methoxy-1-hydroxy-4-allylbenzene
4-Allyl-1-hydroxy-2-methoxybenzene
bioxeda
1-Hydroxy-2-methoxy-4-prop-2-enylbenzene
2-methoxy-4-(prop-2-en-1-yl)phenol
2-Hydroxy-5-allylanisole
FEMA No. 2467
4-Hydroxy-3-methoxy-1-allylbenzene
4-Hydroxy-3-methoxyallylbenzene
2-Methoxy-4-(2-propen-1-yl)phenol
Eugenol (natural)
Phenol, 4-allyl-2-methoxy-
4-Allylcatechol 2-methyl ether
NCI-C50453
1-allyl-4-hydroxy-3-methoxybenzene
1-Allyl-3-methoxy-4-hydroxybenzene
Caswell No. 456BC
FEMA Number 2467
2-Metoksy-4-allilofenol
CCRIS 306
FA 100
CHEBI:4917
HSDB 210
NSC 209525
Caryophillic acid
NSC-8895
EINECS 202-589-1
Eugenol (USP)
Eugenol [USP]
EPA Pesticide Chemical Code 102701
NSC-209525
UNII-3T8H1794QW
BRN 1366759
DTXSID9020617
Phenol, 2-methoxy-4-(2-propen-1-yl)-
AI3-00086
3T8H1794QW
MFCD00008654
naturel
CHEMBL42710
DTXCID90617
2-Methoxy-4-(3-propenyl)phenol
2-methoxy-4-prop-2-enyl-phenol
EC 202-589-1
3-(3-methoxy-4-hydroxyphenyl)propene
NCGC00091449-05
EUGENOL (IARC)
EUGENOL [IARC]
EUGENOL (II)
EUGENOL [II]
EUGENOL (MART.)
EUGENOL [MART.]
EUGENOL (USP-RS)
EUGENOL [USP-RS]
Eugenol [USAN]
WLN: 1U2R DQ CO1
EUGENOL (EP MONOGRAPH)
EUGENOL [EP MONOGRAPH]
EUGENOL (USP MONOGRAPH)
EUGENOL [USP MONOGRAPH]
CAS-97-53-0
2-Metoksy-4-allilofenol [Polish]
SR-05000002043
allylguaicol
natural
naturale
oogenol
phenylpropanoid
redistillation
Eugenolum
fractionation,
animal feed
water white
Dentek Eugenol
alim ue
fami qs
Teething Gel
ugenol,
eugenic acid,
clove,
Isolate,
US Pharmacopoeia
Eugenol BP
flash distillation
clove oil fraction
Nuby Teething Gel
Eugenol,(S)
1-hydroxy-4-allyl-2-methoxybenzene
Red Cross Toothache
British Pharmacopoeia
clove oil terpeneless
eugenol for synthesis
Eugenol1518
4-allyl-2methoxyphenol
3s0e
EFEUF,
EUGENOL [VANDF]
EUGENOL [FHFI]
EUGENOL [HSDB]
EUGENOL [INCI]
Marshall Toothache Drops
4-allyl 2-methoxyphenol
EUGENOL [FCC]
EUGENOL [MI]
Spectrum2_001264
Spectrum3_000646
Spectrum4_001783
Spectrum5_000425
EUGENOL [WHO-DD]
4-allyl-2-methoxy-Phenol
bmse010053
Epitope ID:114091
Eugenol, puriss., 98%
AnaDent Childrens Kanka Gel
Eugenol Toothache Medication
SCHEMBL20361
BSPBio_002251
KBioGR_002327
MLS000028901
SEUGE0001
BIDD:ER0696
DivK1c_000692
SPECTRUM1500296
SPBio_001228
GTPL2425
HMS502C14
KBio1_000692
KBio3_001471
Eugenol, ReagentPlus(R), 99%
NSC8895
4-(2-Propenyl)-2-methoxyphenol
Eugenol, natural, >=98%, FG
NINDS_000692
Eugenol, >=98%, FCC, FG
HMS1920O08
HMS2091F09
Pharmakon1600-01500296
2-methoxy-4-(2-propenyl)-phenol
HY-N0337
Tox21_111134
Tox21_202040
Tox21_300105
BBL027721
BDBM50164168
CCG-38827
NSC209525
NSC757030
s4706
STL371304
Eugenol, tested according to Ph.Eur.
AKOS000121354
Tox21_111134_1
CS-7807
DB09086
FS-2702
NSC-757030
SDCCGMLS-0066578.P001
IDI1_000692
USEPA/OPP Pesticide Code: 102701
Eugenol 1000 microg/mL in Acetonitrile
NCGC00091449-01
NCGC00091449-02
NCGC00091449-03
NCGC00091449-04
NCGC00091449-06
NCGC00091449-07
NCGC00091449-08
NCGC00091449-10
NCGC00253915-01
NCGC00259589-01
AC-34149
Eugenol, Vetec(TM) reagent grade, 98%
SMR000059114
2-METHOXY-4-(2'-PROPENYL)PHENOL
SBI-0051381.P003
DB-261256
Eugenol, PESTANAL(R), analytical standard
A0232
NS00003629
EN300-16622
D04117
AB00051992_02
A845719
Eugenol, primary pharmaceutical reference standard
Q423357
Eugenol, certified reference material, TraceCERT(R)
Q-201105
SR-05000002043-1
SR-05000002043-2
BRD-K32977963-001-01-9
BRD-K32977963-001-03-5
Z56347226
EUGENOL (CONSTITUENT OF HOLY BASIL LEAF) [DSC]
Eugenol, European Pharmacopoeia (EP) Reference Standard
F0001-2306
2-methoxy-4-(prop-2-en-1-yl)phenol4-allyl-2-methoxyphenol
EUGENOL (CONSTITUENT OF CINNAMOMUM CASSIA BARK) [DSC]
EUGENOL (CONSTITUENT OF CINNAMOMUM VERUM BARK) [DSC]
Eugenol, United States Pharmacopeia (USP) Reference Standard
Eugenol, Pharmaceutical Secondary Standard; Certified Reference Material
InChI=1/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H
Microorganism:

Yes

IUPAC name2-methoxy-4-prop-2-enylphenol
SMILESCOC1=C(C=CC(=C1)CC=C)O
InchiInChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
FormulaC10H12O2
PubChem ID3314
Molweight164.2
LogP2
Atoms12
Bonds3
H-bond Acceptor2
H-bond Donor1
Chemical Classificationaromatic compounds ethers phenols terpenes benzenoids phenylpropenes
CHEBI-ID4917
Supernatural-IDSN0332901

mVOC Specific Details

Boiling Point
DegreeReference
225 °C peer reviewed
Volatilization
The Henry's Law constant for eugenol is estimated as 1.92X10-6 atm-cum/mole(SRC) derived from its extrapolated vapor pressure, 0.0221 mm Hg at 25deg C(1), and water solubility, 2460 mg/L at 25 deg C(2). This Henry's Law constant indicates that eugenol is expected to volatilize slowly 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 25 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 183 days(SRC). Eugenol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). A theoretical model of soil volatilization predicts that 4-33% of eugenol applied to a soil surface will volatilize during the first 10 days(4); the fastest volatilization rates occur with lowest soil organic content and moisture content(4). Although eugenol's vapor pressure might suggest that volatilization from dry soil will not occur, the compound is used in fragrance and odorant applications that result in inhalation exposure(SRC); therefore, volatilization from dry soil is expected to occur(SRC).
Literature: (1) Van Roon A et al; Chemosphere 61: 599-609 (2005) (2) Yalkowky SH et al; Handbook of Aqueous Solubility Data 2nd ed., Boca Raton, FL: CRC Press, p. 687(2010) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) Van Roon A et al; Chemosphere 61: 129-138 (2005)
Soil Adsorption
The Koc of eugenol is estimated as 340(SRC), using a log Kow of 2.49(1) and a regression-derived equation(2). According to a classification scheme(3), these estimated Koc values suggest that eugenol is expected to have moderate to lowmobility in soil.
Literature: (1) Dias NC et al; Analyst 128: 427-433 (2003) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011.Available from, as of Jun 26, 2012: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.0221 mm Hg at 25 deg CVan Roon A et al; Chemosphere 61: 599-609 (2005)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaLactobacillus Plantarumginkgo biloba kernel juicetriple quadrupole GC-MSno
EukaryotaAntrodia CinnamomeaPDAGC/MSyes
ProkaryotaLactiplantibacillus Plantarumfermentation of ginkgo kernel juiceGC-IMSno
EukaryotaKluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno
EukaryotaSaccharomyces CerevisiaeSauce Meat during StorageSPME–GC–MSno