Limonene oxide

1195-92-2

Limonene epoxide

Limonene 1,2-epoxide

Limonene monoxide

1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane

Limonene 1,2-oxide

1,2-Epoxylimonene

1,2-Epoxy-p-menth-8-ene

7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(1-methylethenyl)-

p-Menth-8-ene, 1,2-epoxy-

4-Isopropenyl-1-methyl-7-oxabicyclo[4.1.0]heptane

1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane

CHEBI:16431

NSC12045

1-Methyl-4-(1-methylvinyl)-7-oxabicyclo(4.1.0)heptane

7-Oxabicyclo(4.1.0)heptane, 1-methyl-4-(1-methylethenyl)-

CCRIS 3763

EINECS 214-805-1

NSC 12045

AI3-24998

Limonene 1, 2-oxide

1-Methyl-4-(1-methylethenyl)-7-oxabicyclo(4.1.0)heptane

a limonene-1,2-epoxide

a 1,2-epoxymenth-8-ene

p-Menth-8-ene,2-epoxy-

SCHEMBL93297

3-isopropenyl-6-methyl-7-oxabicyclo[4.1.0]heptane

CHEMBL2268547

DTXSID50862594

13837-75-7

7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(1-methylethenyl)-, [1S-(1.alpha.,4.alpha.,6.alpha.)]-

BBL027497

MFCD00005127

MFCD00074770

NSC-12045

STK801933

AKOS006228851

MCULE-4064327350

SB44781

SY257451

VS-08553

DB-061578

CS-0442167

NS00041597

E83861

EN300-322402

(+)-LIMONENE OXIDE 97% MIXTURE OF CIS&

J-504945

Q27101901

Z1198147214

1-Methyl-4-(prop-1-en-2-yl)-7-oxa-bicyclo[4.1.0]Heptane

{7-Oxabicyclo[4.1.0]heptane,} 1-methyl-4-(1-methylethenyl)-

1-Methyl-4-(1-methylethenyl)-7-oxabicyclo[4.1.0]heptane, 9CI

4-isopropenyl-1-methyl-7-oxa-bicyclo[4.1.0]heptane, AldrichCPR

1-METHYL-4-(PROP-1-EN-2-YL)-7-OXABICYCLO[4.1.0]HEPTANE(TBC AS STABILIZER)

Biochanin A, trimethylsilyl ether

BGQIRODFLJPHQW-UHFFFAOYSA-N

2-Methoxy-5-methylthiophene

Thiophene, 2-methoxy-5-methyl-

31053-55-1

SCHEMBL434813

2-Methoxy-5-methylthiophene #

DTXSID50185013

RULFUZCLYMDADI-UHFFFAOYSA-N

DA-07074

2-Methyl-3-furanthiol

28588-74-1

2-Methylfuran-3-thiol

3-FURANTHIOL, 2-METHYL-

2-methyl-3-furanethiol

2-Methyl-3-mercaptofuran

2-Methyl-3-furylthiol

2-Methyl-3-furylmercaptan

3-Mercapto-2-methylfuran

2-methyl-furan-3-thiol

FEMA No. 3188

2-methyl-3-sulfanylfuran

2-methyl-3-mercapto-furan

2-Methyl, 3-furanethiol

Furan-3-thiol, 2-methyl

DTXSID5047118

N21RW1N179

Oxycyclothione 030

EINECS 249-094-7

UNII-N21RW1N179

methyl furanthiol

MFCD00010280

2-methyluran-3-thiol

2-methyl-3-furan thiol

SCHEMBL691744

CHEMBL3188696

DTXCID3027118

FEMA 3188

2-Methyl-3-furanthiol (90%)

CHEBI:167074

METHYL-3-FURANTHIOL, 2-

Tox21_302709

2-Methyl-3-furanthiol, 95%, FG

2-Methyl-3-furanthiol (90per cent)

AKOS015897434

2-METHYL-3-FURYLTHIOL [FHFI]

CS-W011245

SB60941

2-Methyl-3-furanthiol, technical grade

NCGC00256792-01

AS-47693

CAS-28588-74-1

DB-021329

M1847

NS00012894

EN300-126929

F15479

Q-100360

Q27284403

cis-Methylisoeugenol

6380-24-1

cis-Methyl isoeugenol

(Z)-Methylisoeugenol

Isoeugenyl methyl ether

Methylisoeugenol, (Z)-

cis-4-Propenyl veratrole

Methyl isoeugenol

O-Methylisoeugenol

Isoeugenol methyl ether

(Z)-methyl isoeugenol

1,2-dimethoxy-4-[(Z)-prop-1-enyl]benzene

Benzene, 1,2-dimethoxy-4-(1-propenyl)-, (Z)-

64DPK8DS6F

1,3,4-Isoeugenol methyl ether

4-Prop-1-enylveratrole

1,2-Dimethoxy-4-propenylbenzene

4-Propenyl-1,2-dimethoxybenzene

Benzene, 1,2-dimethoxy-4-propenyl-, (Z)-

CHEBI:50550

1-(3,4-Dimethoxyphenyl)-1-propene

NSC 46111

1-Propene, 1-(3,4-dimethoxyphenyl)-

1,2-dimethoxy-4-[(1Z)-prop-1-en-1-yl]benzene

4-Propenyl veratrole

1,2-DIMETHOXY-4-(1-PROPENYL)BENZENE

cis-isomethyleugenol

FEMA No. 2476

Benzene, 1,2-dimethoxy-4-(1-propen-1-yl)-

3,4-Dimethoxypropenylbenzene (VAN)

EINECS 202-224-6

UNII-64DPK8DS6F

BRN 0880472

UNII-46RN7Q97DE

1,2-Dimethoxy-4-(1-propen-1-yl)benzene

AI3-20967

isoeugenylmethylether

(e)-methyl eugenol

BRN 1911284

trans-Methyl isoeugenol

cis-isoeugenolmethylether

4-(1-Propenyl)veratrole

cis-isoeugenol methyl ether

ghl.PD_Mitscher_leg0.375

2-06-00-00918 (Beilstein Handbook Reference)

3-06-00-04995 (Beilstein Handbook Reference)

(Z)-O-METHYLISOEUGENOL

4-CIS-PROPENYLVERATROLE

46RN7Q97DE

SCHEMBL1760676

CHEMBL1164609

FEMA 2476

DTXSID101026531

1,2-Dimethoxy-4-propenyl-Benzene

HY-N3591

FEMA NO. 2476, Z-

ISOEUGENYL METHYL ETHER, CIS-

1,2-dimethoxy-4-cis-propenyl-benzene

AKOS025287899

FS-8909

VERATROLE, 4-PROPENYL-, CIS-

1,2-Dimethoxy-4-propenyl-(E)-Benzene

1ST14251

1,2-Dimethoxy-4-(1-propenyl)benzene, 9CI

CS-0023905

(Z)-3,4-DIMETHOXY-.BETA.-METHYLSTYRENE

1,2-DIMETHOXY-4-(1-CIS-PROPENYL)BENZENE

Q27122111

BENZENE, 1,2-DIMETHOXY-4-(1Z)-1-PROPEN-1-YL-

Eucalyptol

cineole

1,8-Cineole

470-82-6

1,8-Cineol

Cajeputol

1,8-Epoxy-p-menthane

Eucalyptole

Eucapur

Zineol

Terpan

p-Cineole

1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane

1,8-Oxido-p-menthane

Eukalyptol

CINEOL

Cucalyptol

Soledum

8000-48-4

p-Menthane, 1,8-epoxy-

Eukalyptol [Czech]

Eucalyptol (natural)

FEMA No. 2465

2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-

Cineole (VAN)

Eucaly

NCI-C56575

NSC-6171

2-Oxabicyclo(2.2.2)octane, 1,3,3-trimethyl-

1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octane

2-Oxa-1,3,3-trimethylbicyclo(2.2.2)octane

NSC6171

NSC 6171

RV6J6604TK

DTXSID4020616

CHEBI:27961

2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane

MFCD00167977

DTXCID60616

CNL

4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane

Eucalyptol [USAN]

NCGC00091666-01

NCGC00091666-04

EUCALYPTOL (II)

EUCALYPTOL [II]

CINEOLE (MART.)

CINEOLE [MART.]

EUCALYPTOL (USP-RS)

EUCALYPTOL [USP-RS]

CINEOLE (EP MONOGRAPH)

CINEOLE [EP MONOGRAPH]

(1s,4s)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane

EUCALYPTOL (USP IMPURITY)

EUCALYPTOL [USP IMPURITY]

EUCALYPTOL (USP MONOGRAPH)

EUCALYPTOL [USP MONOGRAPH]

Eucalyptol 1000 ug/mL in Methanol

UNII-RV6J6604TK

CAS-470-82-6

SMR000471853

1,8 Cineole

CCRIS 3727

HSDB 991

Cineole (Eucalyptol)

1,8 Cineol

1,8 Epoxy p menthane

Eucalyptol [USAN:USP]

EINECS 207-431-5

cineoles

Rosatra

Terpane

Cyneol

BIDD:ER0481

AI3-00578

2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane

Eucalyptol,(S)

Germ Free ARIA

Eucalyptol (USP)

1.8-cineole

1_8_cineole

Eucalyptol, 99%

Eucalyptol, Ph Helv

p-Menthane,8-epoxy-

1,8-Oxido-p-methane

EUCALYPTOL [MI]

WLN: T66 A B AOTJ B1 B1 F1

CINEOLE [INCI]

EUCALYPTOL [FCC]

Spectrum2_000221

Spectrum3_000683

Spectrum4_001747

Spectrum5_000704

EUCALYPTOL [FHFI]

EUCALYPTOL [HPUS]

EUCALYPTOL [HSDB]

EUCALYPTOL [INCI]

CINEOLE [WHO-DD]

EUCALYPTOL [VANDF]

bmse000523

EC 207-431-5

SCHEMBL19622

SCHEMBL41020

BSPBio_002405

KBioGR_002194

MLS001050089

MLS001066338

DivK1c_000333

SPECTRUM1500294

SPBio_000261

Eucalyptol, analytical standard

CHEMBL485259

GTPL2464

CHEMBL1231862

CHEMBL1397305

SCHEMBL13554591

SCHEMBL17836873

SCHEMBL23876132

CHEBI:23243

HMS501A15

KBio1_000333

KBio3_001625

NINDS_000333

P-METHANE, 1,8-EPOXY-

HMS2271P04

Pharmakon1600-01500294

HY-N0066

Tox21_111161

Tox21_202090

Tox21_302902

BDBM50459887

CCG-36080

NSC760388

AKOS015903223

AKOS016034339

AKOS037514637

Tox21_111161_1

CCG-266254

CS-8146

DB03852

LMPR0102090019

NSC-760388

Eucalyptol 1000 microg/mL in Methanol

IDI1_000333

Eucalyptol, tested according to Ph.Eur.

NCGC00091666-02

NCGC00091666-03

NCGC00091666-05

NCGC00095774-01

NCGC00178671-01

NCGC00256479-01

NCGC00259639-01

NCGC00389703-01

AC-20234

Eucalyptol, natural, >=99%, FCC, FG

LS-13868

NCI60_005108

1,3-Trimethyl-2-oxabicyclo[2.2.2]octane

2-Oxa-1,3-trimethylbicyclo[2.2.2]octane

DB-070775

2-Oxabicyclo[2.2.2]octane,3,3-trimethyl-

NS00002794

Rosatra Synergyfor treatment of Acne Rosacea

C09844

D04115

AB01563262_01

Q161572

SR-01000763816

SR-01000763816-2

W-106080

1,8-Cineole, primary pharmaceutical reference standard

1,3,3-TRIMETHYL-2-OXABICYCLO(2.2.2.)OCTANE

Cineole, European Pharmacopoeia (EP) Reference Standard

Eucalyptol, certified reference material, TraceCERT(R)

F0001-1260

Eucalyptol, United States Pharmacopeia (USP) Reference Standard

Eucalyptol (cineole), Pharmaceutical Secondary Standard; Certified Reference Material

InChI=1/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H

The Henry's Law constant for 1,8-cineole is estimated as 1.1X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 1.90 mm Hg(1), and water solubility, 3.5X10+3 mg/L(2). This Henry's Law constant indicates that cineole 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 hours(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 8 days(SRC). 1,8-Cineole's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 1,8-cineole from dry soil surfaces may exist(SRC) based upon the vapor pressure(1).
Literature: (1) Riddick JA et al, eds; Techniques of Chemistry. 4th ed. Vol II. Organic Solvents. New York, NY: John Wiley and Sons, (1985) (2) Yalkowsky SH et al; Handbook of Aqueous Solubility Data. 2nd ed., Boca Raton, FL: CRC Press p. 730 (2010) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

The Koc of 1,8-cineole is estimated as 220(SRC), using a log Kow of 2.74(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 1,8-cineole is expected to have moderate mobility in soil. In soil infiltration studies using secondary effluent from Fort Polk, LA collected Nov 4-5 1980, 1,8-cineole, present at 0.091 ug/L, was not detected in column fluid effluents on the second inundation cycle(4).
Literature: (1) Griffin S et al; J Chromatogr 864: 221-28 (1999) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Apr 20, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Hutchins SR et al; Environ Toxicol Chem 2: 195-216 (1983)

Dihydroedulan I

IVTQSEFLDHBCDZ-DMDPSCGWSA-N

Q67879843

Anethofuran

Dill ether

74410-10-9

2UX44R1B15

3,6-Dimethyl-2,3,3a,4,5,7a-hexahydrobenzofuran

(-)-Dill ether

(3s,3as,7ar)-3,6-dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran

(3S,3aS,7aR)-dill ether

UNII-2UX44R1B15

SCHEMBL3506212

Benzofuran, 2,3,3a,4,5,7a-hexahydro-3,6-dimethyl-, (3S,3aS,7aR)-

FEMA NO. 4315

CHEBI:171949

KBPPPUZMFQKLNP-UTLUCORTSA-N

DTXSID801017496

BENZOFURAN, 2,3,3A,4,5,7A-HEXAHYDRO-3,6-DIMETHYL-, (3S-(3.ALPHA.,3A.ALPHA.,7A.ALPHA.))-

(3r,4s,8s)-3,9-epoxy-p-menthene

NS00122768

Q529438

(3S,3aS,7aR)-3,6-dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzouran

3,6-DIMETHYL-2,3,3A,4,5,7A-HEXAHYDROBENZOFURAN [FHFI]

Benzofuran, 2,3,3a,4,5,7a-hexahydro-3,6-dimethyl-, (3S-(3alpha,3aalpha,7aalpha))-

Perillene

Perillen

539-52-6

3-(4-methylpent-3-en-1-yl)furan

3-(4-Methyl-3-pentenyl)furan

Furan, 3-(4-methyl-3-pentenyl)-

3-(4-methylpent-3-enyl)furan

3-Isohexenylfuran

AM4D4646ZW

Perillen, >90%

UNII-AM4D4646ZW

SCHEMBL310752

CHEBI:74039

3-(4-methyl-3-pentenyl)-furan

DTXSID40202167

XNGKCOFXDHYSGR-UHFFFAOYSA-N

3-(4-Methyl-3-pentenyl)furan #

3-(4-Methyl-pent-3-enyl)-furan

HY-N0827

MFCD28387433

AKOS028108563

AS-82915

3-(4-METHYL-3-PENTEN-1-YL)FURAN

CS-0009859

NS00126669

FURAN, 3-(4-METHYL-3-PENTEN-1-YL)-

A937649

Q15634089

1,7-Dioxaspiro[5.5]undecane

180-84-7

1,7-Dioxaspiro(5.5)undecane

Eco-Trap

(S)-1,7-Dioxaspiro[5.5]undecane

KHI3QEQ4ZJ

(R)-1,7-Dioxaspiro[5.5]undecane

DTXSID2040735

Olean

1,7-dioxaspiro[5,5]undecane

1,7-Dioxaspiro[5.5]undecane; Olean

UNII-KHI3QEQ4ZJ

EINECS 205-870-7

1,7-dioxaspiro[5.5]undecan

SCHEMBL1720520

CHEMBL2135489

DTXCID0020735

CHEBI:195752

1,7-Dioxaspiro[5.5]undecane 100 microg/mL in Acetonitrile

Tox21_300659

LMPK09000012

LMPK09000013

MFCD00011578

AKOS025294760

1,7-Dioxaspiro[5.5]undecane, 98%

?1,7-DIOXASPIRO[5.5]UNDECANE

NCGC00164386-01

NCGC00164386-02

NCGC00254567-01

1,7-Dioxaspiro[5.5]undecane, >=97%

AS-59233

CAS-180-84-7

DIOXASPIRO-5,5-UNDECANE, 1,7-

CS-0333807

NS00025952

Q804105

J-011547

Q55620476

Q55620521

InChI=1/C9H16O2/c1-3-7-10-9(5-1)6-2-4-8-11-9/h1-8H

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

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)

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)

4-(biphenyl-4-yloxy)-phenol

4-(4'-Hydroxyphenoxy)biphenyl

SCHEMBL4320112

2-Methoxy-5-methylphenol

1195-09-1

Isocreosol

5-Methylguaiacol

Phenol, 2-methoxy-5-methyl-

6-Methoxy-m-cresol

2-Hydroxy-4-methylanisole

Isocreosole

m-CRESOL, 6-METHOXY-

2-methoxy-5-methyl-phenol

3-hydroxy-4-methoxytoluene

AV5V76OU33

MFCD00040901

EINECS 214-791-7

BRN 1817644

UNII-AV5V76OU33

m-Creosol

5-methyl-2-methoxyphenol

4-methyl-2-hydroxy anisole

ghl.PD_Mitscher_leg0.527

Phenol,2-methoxy-5-methyl-

4-06-00-05879 (Beilstein Handbook Reference)

SCHEMBL218637

IFNDEOYXGHGERA-UHFFFAOYSA-

DTXSID70152469

CHEBI:194904

CL8467

2-methoxy-5-methylphenol, AldrichCPR

AKOS009158076

AM83049

CS-W016494

MCULE-4799688740

BP-11158

SY037881

TS-01781

DB-021278

3-HYDROXY-4-METHOXY-1-METHYLBENZENE

H0624

NS00021557

EN300-177729

A804302

Q10303982

InChI=1/C8H10O2/c1-6-3-4-8(10-2)7(9)5-6/h3-5,9H,1-2H3

ANETHOLE

trans-Anethole

4180-23-8

104-46-1

(E)-Anethole

p-Propenylanisole

(E)-1-Methoxy-4-(prop-1-en-1-yl)benzene

Anise camphor

Isoestragole

4-Propenylanisole

Monasirup

Anethol

cis-Anethol

(E)-p-Propenylanisole

trans-p-Propenylanisole

trans-Anethol

p-Anethole

Anethole, trans

Anisole, p-propenyl-

1-Methoxy-4-(prop-1-en-1-yl)benzene

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

(E)-Anethol

Aniskampfer

Anethole, trans-

trans-1-p-Anisylpropene

p-1-Propenylanisole

(E)-1-(4-Methoxyphenyl)propene

1-Methoxy-4-propenylbenzene

1-methoxy-4-[(1E)-prop-1-en-1-yl]benzene

4-Methoxypropenylbenzene

trans-4-(1-Propenyl)anisole

FEMA No. 2086

Benzene, 1-methoxy-4-(1-propenyl)-

(E)-1-Methoxy-4-(1-propenyl)benzene

trans-p-Methoxy-beta-methylstyrene

1-Methoxy-4-(1-propenyl)benzene

4-Methoxy-1-propenylbenzene

p-Propenylphenyl methyl ether

Propene, 1-(p-methoxyphenyl)-

t-anethole

1-Propene, 1-(4-methoxyphenyl)-

Anethole (natural)

Benzene, 1-methoxy-4-(1-propenyl)-, (E)-

trans-1-Methoxy-4-(1-propenyl)benzene

trans-p-Anethole

Benzene, 1-methoxy-4-(1E)-1-propenyl-

NSC 4018

MFCD00009284

Q3JEK5DO4K

NSC-209529

1-Methoxy-4-(1E)-1-propen-1-ylbenzene

Benzene, 1-methoxy-4-(1-propen-1-yl)-

p-Methoxy-.beta.-methylstyrene

50770-19-9

DTXSID9020087

Trans-Anethole ((E)-Anethole)

CHEBI:35616

NSC4018

Anethole (NF)

Anethole [NF]

(E)-1-p-Methoxyphenylpropene

Methoxy-4-propenylbenzene

(E)?-Anethole

trans-1-(p-Methoxyphenyl)-1-propene

trans-1-(4-Methoxyphenyl)-1-propene

DTXCID0086

DTXCID2087

1-Methoxy-4-((1E)-1-propenyl)benzene

E-anethole

trans-Anethole (natural)

1-(4-Methoxyphenyl)-1(3)-propene

Acintene O

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

p-(1-Propenyl)anisole

CAS-104-46-1

4-(1-propenyl)anisole

Propenylanisole, p-, (E)-

CAS-4180-23-8

Anethol (synthetic)

Anisole, p-propenyl-, trans-

Anisole, p-propenyl-, (E)-

CCRIS 2481

1-(p-Methoxyphenyl)propene

1-p-Methoxyphenylpropene, trans-

Caswell No. 051B

p-Propenylmethoxybenzene

FEMA Number 2086

SR-05000001866

1-(methyloxy)-4-[(1E)-prop-1-en-1-yl]benzene

4-06-00-03796 (Beilstein Handbook Reference)

EINECS 224-052-0

UNII-Q3JEK5DO4K

Methoxy-beta-methylstyrene, trans-p-

CHEBI:2716

DTXSID4020086

NSC 209529

p-Methoxy-beta-methylstyrene

BRN 0636190

trans-1-(p-Methoxyphenyl)propene

UNII-A79C64YD3Q

1-Methoxy-4-(1-propenyl)benzene, (E)-

CCRIS 6211

1-Methoxy-4-[1-propenyl]benzene #

Anisole, trans-

HSDB 1427

|trans|-Anethole

NCGC00091493-01

Benzene, 1-methoxy-4-(propenyl)-

EINECS 203-205-5

EINECS 256-753-2

EPA Pesticide Chemical Code 015604

BRN 0774229

Benzene, 1-methoxy-4-(propen-1-yl)-

trans-Anethole, 99%

ANETHOLE [INCI]

ANETHOLE [FCC]

AI3-00380

ANETHOLE [II]

ANETHOLE [MI]

4-trans-propenyl-anisole

ANETHOLE [VANDF]

Spectrum5_000727

ANETHOLE [USP-RS]

ANETHOLE [WHO-DD]

ANETHOLE, (E)-

EC 224-052-0

ghl.PD_Mitscher_leg0.12

SCHEMBL48599

BSPBio_002818

trans-p-Methoxypropenylbenzene

2-06-00-00523 (Beilstein Handbook Reference)

SPECTRUM1503705

TRANS-ANETHOLE [FHFI]

WLN: 2U1R DO1

Anethol, natural, 99%, FG

A79C64YD3Q

CHEMBL452630

WLN: 2U1R DO1 -T

HMS1922I20

HMS2089P20

HMS2093I09

HMS3885E16

Pharmakon1600-01503705

trans-Anethole, analytical standard

HY-B0900

NSC-4018

Tox21_111139

Tox21_202001

Tox21_202282

Tox21_300132

BBL027751

CCG-38720

NSC209529

NSC758626

s3779

STK801277

trans-p-Methoxy-.beta.-methylstyrene

trans-Anethole, >=99%, FCC, FG

AKOS000121299

Tox21_111139_1

DS-2756

NSC-758626

methyl 4-(prop-1-en-1-yl)phenyl ether

NCGC00091493-02

NCGC00091493-03

NCGC00091493-04

NCGC00091493-05

NCGC00091493-06

NCGC00091493-07

NCGC00091493-09

NCGC00254015-01

NCGC00259550-01

NCGC00259831-01

AC-34207

LS-13792

SBI-0052758.P002

trans-Anethole, purum, >=98.0% (GC)

NS00001178

P0494

S3990

EN300-18430

Benzene, 1-methoxy-4-(1E)-1-propen-1-yl-

D02377

D70168

AB00053256-02

AB00053256_03

EN300-1695718

A873002

Q255564

(E)-ANETHOLE (CONSTITUENT OF MYRRH) [DSC]

Q-201853

SR-05000001866-1

SR-05000001866-2

W-108812

BRD-K49060658-001-01-5

trans-Anethole, primary pharmaceutical reference standard

Z2315575049

Anethole, United States Pharmacopeia (USP) Reference Standard

BENZENE,1-METHOXY,4-PROPENYL(TRANS) TRANS ANETHOL

InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3

trans-Anethole, Pharmaceutical Secondary Standard; Certified Reference Material

26795-32-4

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)

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)

SYRINGIC ACID

530-57-4

4-Hydroxy-3,5-dimethoxybenzoic acid

3,5-Dimethoxy-4-hydroxybenzoic acid

Cedar acid

Gallic acid 3,5-dimethyl ether

Benzoic acid, 4-hydroxy-3,5-dimethoxy-

NSC 2129

3,5-Dimethoxy-4-hydroxybenzyl acid

EINECS 208-486-8

BRN 2115262

UNII-E390O181H5

CHEBI:68329

AI3-24376

NSC-2129

MFCD00002552

4-Hydroxy-3,5-dimethoxy-benzoic acid

E390O181H5

CHEMBL1414

DTXSID0060191

4-10-00-01995 (Beilstein Handbook Reference)

4-Hydroxy-3,5-dimethoxybenzoicacid

2,6-DIMETHOXY-4-CARBOXYPHENOL

3,5-dimethoxy-4-oxidanyl-benzoic acid

Syringlicacid

SYRA

SpecPlus_000485

Spectrum3_001866

Spectrum5_000963

Syringic acid, >=95%

bmse000607

bmse010206

SCHEMBL42751

BSPBio_003312

SYRINGIC ACID [INCI]

DivK1c_006581

3,5-Dimethyl-4-hydroxybenzoate

DTXCID2041337

3,5-dimethyl ether Gallic Acid

KBio1_001525

KBio3_002814

3,5-Dimethoxy-4-hydroxybenzoate

NSC2129

HMS3885G17

Syringic acid, analytical standard

HY-N0339

BBL012974

BDBM50187132

s3629

STL163855

3,5-dimethoxy-4-hydroxy benzoic acid

AKOS000269664

AC-7975

CCG-214218

MCULE-6314465100

PS-8244

NCGC00178148-01

1ST40130

SY005479

DB-022071

CS-0008899

G0014

NS00001894

EN300-117146

3 pound not5-DIMETHOXY-4-HYDROXYBENZOICACID

Q408428

Q-100604

BRD-K51980294-001-01-9

F3157-0001

Z1255360342

3,5-Dimethoxy-4-hydroxybenzoic acid, 4-Hydroxy-3,5-dimethoxy-benzoic acid

IJP

InChI=1/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12

Vanillic acid

4-HYDROXY-3-METHOXYBENZOIC ACID

121-34-6

Acide vanillique

p-Vanillic acid

Benzoic acid, 4-hydroxy-3-methoxy-

3-Methoxy-4-hydroxybenzoic acid

Vanillate

m-Anisic acid, 4-hydroxy-

VanillicAcid

Protocatechuic acid, 3-methyl ester

NSC 3987

NSC 674322

4-hydroxy-3-methoxy-Benzoic acid

UNII-GM8Q3JM2Y8

4-Hydroxy-3-methoxybenzoate

EINECS 204-466-8

GM8Q3JM2Y8

MFCD00002551

BRN 2208364

CHEBI:30816

AI3-19542

NSC-3987

NSC-674322

VA

4-Hydroxy-3-methoxybenzoicacid

CHEMBL120568

DTXSID6059522

FEMA NO. 3988

DROXIDOPA METABOLITE (VA)

4-hydroxy-3-methoxy benzoic acid

2-METHOXY-4-CARBOXYPHENOL

NSC674322

M-METHOXY-P-HYDROXY-BENZOIC ACID

Acid, Vanillic

VA (VAN)

VNL

4-hydroxy-m-Anisic acid

Vanillinsaure

p-Vanillate

Vanilic acid

4 Hydroxy 3 methoxybenzoic Acid

p Hydroxy m methoxy benzoic Acid

p-Hydroxy-m-methoxy-benzoic Acid

Acid, 4-Hydroxy-3-methoxybenzoic

Acid, p-Hydroxy-m-methoxy-benzoic

Vanillic Acid,(S)

4-hydroxy-m-Anisate

Vanillic acid (M2)

Vanillic acid, 97%

bmse000486

bmse000614

bmse010205

WLN: QVR DQ CO1

VANILLIC ACID [MI]

3-Methoxy-4-hydroxybenzoate

SCHEMBL26179

VANILLIC ACID [INCI]

MLS000574833

4-hydroxy-3-methoxy-Benzoate

Vanillic acid, >=97%, FG

4-hydroxy-3methoxy benzoic acid

DTXCID1033668

4-hydroxyl-3-methoxybenzoic acid

NSC3987

4- hydroxy-3-methoxybenzoic acid

HMS2197E16

Protocatechuic acid 3-methyl ester

HY-N0708

STR02334

BBL011982

BDBM50337364

CK2172

s5343

STL163472

AKOS000113195

CCG-266343

MCULE-2667517874

NCGC00247610-01

1ST40128

AC-11841

BP-13246

SMR000156289

SY001450

DB-003804

Vanillic acid, purum, >=97.0% (HPLC)

AM20050239

CS-0009728

NS00014581

V0017

4-HYDROXY-3-METHOXYBENZOIC ACID [FHFI]

C06672

EN300-105765

Vanillic acid, Vetec(TM) reagent grade, 97%

A804715

Q419672

Q-201921

Z381356666

Vanillic acid, certified reference material, TraceCERT(R)

3E9555E5-85F5-4FCE-A429-5182E959C6A3

InChI=1/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11

Oxime-, methoxy-phenyl-_

67160-14-9

Methyl N-hydroxybenzimidate

SCHEMBL8530447

HUYDCTLGGLCUTE-HJWRWDBZSA-N

Methyl N-hydroxybenzenecarboximidoate #

methyl (z)-N-hydroxybenzenecarboximidate

Benzenecarboximidic acid, N-hydroxy-, methyl ester

Guaiane oxide

Guaioxide

20149-50-2

2H-3,9a-Methanocyclopent[b]oxocin, octahydro-2,2,6,9-tetramethyl-, (3R,6S,6aR,9S,9aS)-

2H-3,9a-Methanocyclopent(b)oxocin, octahydro-2,2,6,9-tetramethyl-, (3R,6S,6aR,9S,9aS)-

DTXSID20885119

GXMJXGUEPXEOGR-WHPHWUKISA-N

Q67879908

METHOXYACETIC ACID

2-Methoxyacetic acid

625-45-6

Acetic acid, methoxy-

Methoxyethanoic acid

Acetic acid, 2-methoxy-

CH3OCH2COOH

Methoxyacetlc acid

methoxy-acetic acid

F11T1H7Q7W

DTXSID1031591

NSC-7300

DTXCID9011591

CAS-625-45-6

2-MethoxyaceticAcid

CCRIS 6518

NSC 7300

EINECS 210-894-6

BRN 0635800

UNII-F11T1H7Q7W

AI3-24152

methoxy acetic acid

MFCD00004308

2-methoxy acetic acid

2-methoxy-acetic acid

(methyloxy)acetic acid

alpha-methoxyacetic acid

Methoxyacetic acid, 98%

EC 210-894-6

CHEMBL1697714

AMY4059

NSC7300

CHEBI:132098

HY-Y1009

STR04664

Tox21_201571

Tox21_303516

Methoxyacetic acid (ACD/Name 4.0)

AKOS000119404

CCG-352130

CS-W020123

MCULE-3945589151

NCGC00090747-01

NCGC00090747-02

NCGC00090747-03

NCGC00257369-01

NCGC00259120-01

M0827

NS00009545

EN300-20233

D77874

Methoxyacetic acid, analytical reference material

J-509848

Q20054532

F2191-0090

Z104477404

InChI=1/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5

5-Isobutyl-3-methoxy-2-methylpyrazine

3-methoxy-2-methyl-5-(2-methylpropyl)pyrazine

SCHEMBL16432838

CHEBI:214128