MESITYL OXIDE

141-79-7

4-Methylpent-3-en-2-one

4-Methyl-3-penten-2-one

3-Penten-2-one, 4-methyl-

Methyl isobutenyl ketone

Isopropylideneacetone

Isobutenyl methyl ketone

Mesityloxid

Mesityloxyde

Ossido di mesitile

3-Isohexen-2-one

Isopropylidene acetone

Oxyde de mesityle

Acetone, isopropylidene-

Methyl 2-methyl-1-propenyl ketone

Methyl 2,2-dimethylvinyl ketone

2-Methyl-4-oxo-2-pentene

2-Methyl-2-pentenone-4

2,2-Dimethylvinyl methyl ketone

4-Metil-3-penten-2-one

4-Methyl-3-pentene-2-one

4-Methyl-3-penten-2-on

2-Methyl-2-penten-4-one

FEMA No. 3368

NSC 38717

4-Methyl-3-penten-2-one, 9CI

4-methyl-pent-3-en-2-one

DTXSID1029170

CHEBI:89993

(CH3)2C=CHC(=O)CH3

NSC-38717

77LAC84669

DTXCID209170

Mesityloxid [German]

Mesityloxyde [Dutch]

Caswell No. 547

FEMA Number 3368

Oxyde de mesityle [French]

CAS-141-79-7

Ossido di mesitile [Italian]

HSDB 1195

EINECS 205-502-5

4-Metil-3-penten-2-one [Italian]

UN1229

EPA Pesticide Chemical Code 052401

BRN 1361550

4-Methyl-3-penten-2-on [Dutch, German]

AI3-07702

UNII-77LAC84669

Mesityloxid(german)

MFCD00008900

Isopropylidene-Acetone

Mesityl oxide [UN1229] [Flammable liquid]

EC 205-502-5

2-methylpent-2-en-4-one

MESITYL OXIDE [MI]

1-Methylpent-2-en-4-one

MESITYL OXIDE [HSDB]

CHEMBL3185916

FEMA 3368

WLN: 1Y1 & U1V1

4-Methyl-3-penten-2-one, 90%

AMY23356

NSC38717

Tox21_202080

Tox21_303606

LMFA12000030

STL146350

Mesityl oxide, technical grade, 90%

AKOS000118892

MCULE-4922478422

UN 1229

NCGC00249161-01

NCGC00257514-01

NCGC00259629-01

4-Methyl-3-penten-2-one (mesityl oxide)

4-Methyl-3-penten-2-on(DUTCH, GERMAN)

4-METHYL-3-PENTENE-2-ONE [FHFI]

M0069

M1340

NS00006985

TEICOPLANIN IMPURITY A [EP IMPURITY]

3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE

EN300-21333

Mesityl oxide [UN1229] [Flammable liquid]

3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE

A807813

CILASTATIN SODIUM IMPURITY D [EP IMPURITY]

Q425668

Q-201356

4-Methyl-3-penten-2-one, analytical reference material

Mesityl oxide, 90%, remainder 4-methyl-4-penten-2-one

InChI=1/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H

Mesityl oxide, European Pharmacopoeia (EP) Reference Standard

4-Methylpent-3-en-2-one; Mesityl oxide; Cilastatin Sodium Imp. D (EP)

Mesityl Oxide, Pharmaceutical Secondary Standard; Certified Reference Material

Mesityl oxide, suitable for neutral marker for measuring electroosmotic flow (EOF), ~98%

The Henry's Law constant for mesityl oxide is estimated as 3.67X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 8.21 mm Hg(1), and water solubility, 28,900 mg/L(2). This Henry's Law constant indicates that mesityl oxide 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 17 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 11 days(SRC). Mesityl oxide's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of mesityl oxide from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner DP; Physical & Thermodynamic Properties of Pure Chemicals Vol. 3 NY: Hemisphere Pub Corp (1989) (2) Yalkowsky SH, He Y; Handbook of Aqueous Solubility Data. CRC Press LLC, Boca Raton, FL. p. 285 (2003) (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 mesityl oxide is estimated as 15(SRC), using a water solubility of 28,900 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that mesityl oxide is expected to have very high mobility in soil.
Literature: (1) Yalkowsky SH, He Y; Handbook of Aqueous Solubility Data. CRC Press LLC, Boca Raton, FL. p. 285 (2003) (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)

GERANIOL

106-24-1

Geranyl alcohol

Lemonol

trans-Geraniol

(E)-3,7-Dimethylocta-2,6-dien-1-ol

(E)-Geraniol

(2E)-3,7-dimethylocta-2,6-dien-1-ol

(E)-Nerol

trans-3,7-Dimethyl-2,6-octadien-1-ol

Geraniol Extra

Geraniol alcohol

(E)-3,7-Dimethyl-2,6-octadien-1-ol

beta-Geraniol

t-geraniol

2,6-Octadien-1-ol, 3,7-dimethyl-, (2E)-

3,7-Dimethyl-trans-2,6-octadien-1-ol

Guaniol

Geraniol (natural)

624-15-7

2-trans-3,7-Dimethyl-2,6-octadien-1-ol

3,7-Dimethyl-2,6-octadien-1-ol

2E-geraniol

(2E)-3,7-Dimethyl-2,6-octadien-1-ol

FEMA No. 2507

CHEBI:17447

2,6-Octadien-1-ol, 3,7-dimethyl-, (E)-

NSC 9279

NSC-9279

2,6-Dimethyl-2,6-octadien-8-ol

CCRIS 7243

HSDB 484

2,6-Octadien-1-ol, 3,7-dimethyl-

2,6-Octadien-1-ol, 3,7-dimethyl-, trans-

NSC9279

3,7-dimethylocta-2,6-dien-1-ol

Geraniol-D6

3,7-Dimethyl-2,6-octadien-1-ol, (E)-

EINECS 203-377-1

(2E)-geraniol

Citrol

UNII-L837108USY

BRN 1722456

trans-3,7-dimethyl-2,6-octadien-8-ol

DTXSID8026727

AI3-00206

L837108USY

MFCD00002917

2,6-Dimethyl-trans-2,6-octadien-8-ol

DTXCID406727

EC 203-377-1

4-01-00-02277 (Beilstein Handbook Reference)

Geraniol 1000 microg/mL in Isopropanol

trans-2,6-Dimethyl-2,6-octadien-8-ol

3,7-Dimethyl-(E)-2,6-Octadien-1-ol

2-trans-3,7-dimethyl-2,6-octadiene-1-ol

GERANIOL (MART.)

GERANIOL [MART.]

3,7-Dimethyl-2,6-octadienol

racemic Geraniol

CAS-106-24-1

66063-44-3

1-Octanol, 3,7-dimethyl-, tetradehydro deriv.

EPA Pesticide Chemical Code 597501

palmarosa

Meranol

kansho-shochu

Basil

b-Geraniol

.beta.-Geraniol

|A-Geraniol

Geraniol (E)

EINECS 210-831-2

EINECS 269-750-6

Geraniol, 98%

ROSE OIL

2,6-octadien-8-ol

GERANIOL [FHFI]

GERANIOL [HSDB]

GERANIOL [INCI]

GERANIOL [FCC]

GERANIOL [MI]

Spectrum5_001513

cis-3,6-octadien-1-ol

Epitope ID:181525

GERANIOL [WHO-DD]

trans-3,6-octadien-1-ol

3,7-Dimethyloctan-1-ol, tetradehydro derivative

SCHEMBL19824

SCHEMBL19826

BSPBio_002919

Geraniol, analytical standard

CHEMBL25719

SPECTRUM1501132

2, 3,7-dimethyl-, trans-

GTPL2467

2, 3,7-dimethyl-,(Z)-

CHEBI:24221

FEMA 2507

geraniol natural (ex citronella)

HMS500J15

NCI9279

2, 3,7-dimethyl-, (E)-

2, 3,7-dimethyl-, (Z)-

Geraniol, >=97%, FCC, FG

Geraniol, natural, >=97%, FG

HMS1921H17

HY-N6952

NSC46105

Tox21_110010

Tox21_202386

Tox21_300136

(E)-3,7-dimethyl-2,6-octadienol

BDBM50037023

CCG-37618

NCGC00013095

s5530

WLN: Q2UY1&3UY1&1 -T

AKOS009031393

Tox21_110010_1

DB14183

LMPR0102010016

(E)-3,7-dimethyl-2,6octadien-1-ol

IDI1_000193

USEPA/OPP Pesticide Code: 597501

3,7-dimethyl-octa-2trans,6-dien-1-ol

NCGC00013095-01

NCGC00013095-02

NCGC00013095-03

NCGC00013095-04

NCGC00013095-05

NCGC00013095-06

NCGC00013095-07

NCGC00013095-08

NCGC00013095-10

NCGC00094905-01

NCGC00094905-02

NCGC00094905-03

NCGC00094905-04

NCGC00094905-05

NCGC00253926-01

NCGC00259935-01

AS-12880

Geraniol, Vetec(TM) reagent grade, 97%

LS-13866

Octadien-1-ol, 3,7-dimethyl-, (E)-

(E)-3,7-dimethyl-octa-2,6-dien-1-ol

geraniol;2,6-dimethyl-2,6-octadien-8-ol

trans-3,7-Dimethy- octa-2,6-dien-1-ol

trans-3,7-Dimethyl octa-2,6-dien-1-ol

WLN: Q2UY1 & 3UY1 & 1-C

WLN: Q2UY1 & 3YU1 & 1-Z

3,7-Dimethyl-(2E)-2,6-Octadien-1-ol

2,6-Octadien-1-ol,3,7-Dimethyl-,(E)-

CS-0003478

G0027

NS00001866

(2E)-3,7-Dimethyl-2,6-octadien-1-ol #

EN300-19327

C01500

E80768

EN300-349311

Q410836

SR-05000002389

Q-201154

SR-05000002389-1

BRD-K03568070-001-01-1

Q27109834

Flavor and Extract Manufacturers' Association No. 2507

Z104473544

A884F9B1-42B7-4350-ACC7-8E71E86A9943

The Henry's Law constant for geraniol is estimated as 1.15X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 3.0X10-2 mm Hg(1), and water solubility, 100 mg/L(2). This Henry's Law constant indicates that geraniol 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 3 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 34 days(SRC). Geraniol's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Geraniol 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. 6th ed., New York, NY: McGraw-Hill (1984) (2) Chem Inspect Test Inst; Biodegradation and Bioaccumulation Data of Existing Chemicals Based on the CSCL Japan; Published by Japan Chemical Industry Ecology-Toxicology & 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)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of geraniol can be estimated to be 90(SRC). According to a classification scheme(2), this estimated Koc value suggests that geraniol is expected to have high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 2, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)

GEOSMIN

19700-21-1

(-)-geosmin

Octahydro-4alpha,8abeta-dimethyl-4aalpha(2H)-naphthol

MYW912WXJ4

CHEBI:46702

trans-1,10-dimethyl-trans-decalol

(4S-(4alpha,4aalpha,8abeta))-Octahydro-4,8a-dimethyl-4a(2H)-naphthol

(4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol

trans-1,10-Dimethyl-trans-9-decalol

(4S,4aS,8aR)-4,8a-dimethyloctahydronaphthalen-4a(2H)-ol

4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-, [4S-(4.alpha.,4a.alpha.,8a.beta.)]-

(4S,4aS,8aR)-4,8a-dimethyl-decahydronaphthalen-4a-ol

4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-,(4.alpha.,4a.alpha.,8a.beta.)-

(+/-)-Geosmin

1,10-Dimethyl-9-decalol

EINECS 243-239-8

UNII-MYW912WXJ4

rac Geosmin

4,8a-Dimethyloctahydro-4a(2H)-naphthalenol #

4,8alpha-dimethyl-octahydro-naphthalen-4alpha-ol

GEOSMIN [MI]

4,8A-DIMETHYLOCTAHYDRONAPHTHALEN-4A(2H)-OL

39 - Geosmin and MIB

SCHEMBL50009

4a-.alpha.-(2H)-Naphthol, octahydro-4-.alpha.,8a-.beta.-dimethyl-

CHEMBL2374043

FEMA NO. 4682

(4S,4aS,8aR)-Octahydro-4,8a-dimethyl-4a(2H)-naphthalenol

4a-alpha-(2H)-Naphthol, octahydro-4-alpha,8a-beta-dimethyl-

DTXSID801024112

4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-, (4S-(4-alpha,4a-alpha,8a-beta))-

NCGC00165950-01

(+/-)-Geosmin 10 microg/mL in Methanol

(+/-)-Geosmin 100 microg/mL in Methanol

NS00122563

Q420233

2-Acetylfuran

1192-62-7

1-(furan-2-yl)ethanone

Acetylfuran

2-Furyl methyl ketone

2-Acetyl furan

Methyl 2-furyl ketone

1-(2-Furyl)ethanone

Ethanone, 1-(2-furanyl)-

2-Furylethanone

Ketone, 2-furyl methyl

1-Furan-2-yl-ethanone

1-(2-FURANYL)ETHANONE

Furyl methyl ketone

1-(Furan-2-yl)ethan-1-one

Furan, 2-acetyl-

2-acetylfurane

(2-furanyl)-1-ethanone

FEMA No. 3163

1-(2-Furanyl)-ethanone

2-acetyl-furan

Q5ZRP80K02

CHEBI:59983

NSC-4665

MFCD00003242

NSC-49133

80145-44-4

acetyl furan

Ethanone, 1-(furanyl)-

CCRIS 3161

2-Furyl methyl ketone (natural)

NSC 4665

EINECS 214-757-1

NSC 49133

BRN 0107909

UNII-Q5ZRP80K02

AI3-23586

2-Acetofurone

a-Furyl methyl ketone

methyl-2-furyl ketone

1-(2-Furyl)ethanone #

Epitope ID:136039

1-(furan-2-yl)-ethanone

SCHEMBL43960

5-17-09-00381 (Beilstein Handbook Reference)

2-ACETYLFURAN [FHFI]

2-Furyl methyl ketone, 99%

1-(2-Furanyl)ethanone, 9CI

DTXSID0051601

FEMA 3163

NSC4665

NSC49133

STR05504

1-(2-furyl)ethanone;2-Acetylfuran

2-FURYL METHYL KETONE [FCC]

STK400329

1-(2-furanyl)ethanone (acetylfuran)

2-Acetylfuran; 1-(2-Furyl)ethanone

AKOS000119584

2-Furyl methyl ketone, >=99%, FG

AM91073

CS-W016628

HY-W015912

MCULE-6389695813

PS-4586

SB60920

2-Acetyl furan; 2-Furyl methyl ketone

1-(2-Furanyl)-ethanone (2-acetylfuran)

AC-11853

PD158331

2-Furyl methyl ketone, analytical standard

DB-003253

A0091

NS00012490

EN300-20230

2-Furyl methyl ketone, purum, >=99.0% (GC)

A804234

2-Furyl methyl ketone, natural (US), >=97%, FG

Q-100089

Q15634156

F0001-0316

2-Aminomethyl-azetidine-1-carboxylic acid tert-butylester

InChI=1/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H

Dihydroagarofuran

Deoxybaimuxino

.beta.-Dihydroagarofuran

.beta.-dihydro-agarofuran

Dihydro-.beta.-agarofuran

.beta.-Agarofuran, dihydro-

HVAVUZLEYSAYGE-KFUGQBAVSA-N

(2S,6R,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane

(3R,5aS,9R,9aS)-2,2,5a,9-Tetramethyloctahydro-2H-3,9a-methanobenzo[b]oxepine

2H-3,9a-Methano-1-benzoxepin, octahydro-2,2,5a,9-tetramethyl-, (3R,5aS,9R,9aS)-

2H-3,9a-Methano-1-benzoxepin, octahydro-2,2,5a,9-tetramethyl-, [3R-(3.alpha.,5a.alpha.,9.alpha.,9a.alpha.)]-

3-METHYL-2-PENTANOL

3-Methylpentan-2-ol

565-60-6

3-Methyl-4-pentanol

2-Pentanol, 3-methyl-

2-hydroxy-3-methylpentane

Threo-3-methylpentan-2-ol

3-Methyl-pentan-2-ol

1502-93-8

NSC92741

EINECS 209-281-6

NSC 92741

sec-Butyl methyl carbinol

SCHEMBL26336

3-Methyl-2-pentanol, 99%

CHEBI:77520

ZXNBBWHRUSXUFZ-UHFFFAOYSA-

DTXSID80862204

MFCD00004528

NSC-92741

AKOS009156539

CS-0234266

M0850

NS00042796

D91394

EN300-140258

Q3278289

InChI=1/C6H14O/c1-4-5(2)6(3)7/h5-7H,4H2,1-3H3

1.74e+01 g/l
Literature: ALOGPS

3-METHYL-2-BUTANOL

598-75-4

3-Methylbutan-2-ol

sec-Isoamyl alcohol

2-Methyl-3-butanol

2-Butanol, 3-methyl-

Methylisopropylcarbinol

Isopropylmethylcarbinol

1,2-Dimethylpropanol

1,2-Dimethyl-1-propanol

DL-3-Methyl-2-butanol

3-Methyl-butan-2-ol

(CH3)2CHCH(OH)CH3

FEMA No. 3703

(+/-)-3-Methyl-2-butanol

NSC 71162

CHEBI:77517

2-Butanol, 3-methyl-, (S)-

93FF0F303R

MFCD00004527

NSC-71162

(r)-3-methyl-2-butanol

UNII-93FF0F303R

MFCD00064271

MFCD00065949

NSC71162

EINECS 209-950-2

3-Methyl butan-2-ol

Isopropyl methyl carbinol

1,2-dimethylpropan-1-ol

(s)-3-methyl-2-butanol

Butan-2-ol, 3-methyl-

1,2-dimethylpropyl alcohol

(+)-3-Methyl-2-butanol

(?)-3-Methyl-2-butanol

3-Methyl-(S)-2-Butanol

3-Methyl-2-butanol, 98%

CHEMBL443470

FEMA 3703

DTXSID20862268

(.+/-.)-3-Methyl-2-butanol

3-METHYL-2-BUTANOL [MI]

BCP29487

3-METHYL-2-BUTANOL [FHFI]

AKOS000249588

(+/-)-2-METHYL-3-BUTANOL

3-METHYL-2-BUTANOL, (+/-)-

DL-3-Methyl-2-butanol, >=98%, FG

SY047377

SY262115

M0171

NS00043800

Dl-3-Methyl-2-Butanol; 3-Methylbutan-2-ol

EN300-60902

3-Methyl-2-butanol, purum, >=98.0% (GC)

Q4634173

LIMONENE

Dipentene

138-86-3

Cinene

Cajeputene

DL-Limonene

Kautschin

Dipenten

Eulimen

Nesol

p-Mentha-1,8-diene

1,8-p-Menthadiene

Cajeputen

Limonen

Cinen

Inactive limonene

Acintene DP dipentene

(+/-)-Limonene

1-Methyl-4-(1-methylethenyl)cyclohexene

Cyclohexene, 1-methyl-4-(1-methylethenyl)-

Unitene

alpha-Limonene

Flavor orange

Orange flavor

Goldflush II

4-Isopropenyl-1-methylcyclohexene

Acintene DP

4-Isopropenyl-1-methyl-1-cyclohexene

Dipanol

Di-p-mentha-1,8-diene

1,8(9)-p-Menthadiene

d,l-Limonene

Limonene, dl-

7705-14-8

Dipentene 200

(+-)-Dipentene

DL-4-Isopropenyl-1-methylcyclohexene

(+-)-Linonene

Caswell No. 526

delta-1,8-Terpodiene

p-Mentha-1,8-diene, dl-

(+-)-alpha-Limonene

Dipentene, crude

MENTHA-1,8-DIENE (DL)

NSC 21446

PC 560

1-Methyl-4-isopropenyl-1-cyclohexene

Terpodiene

1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene

Ciene

1-methyl-4-prop-1-en-2-ylcyclohexene

Cyclil decene

HSDB 1809

Limonene, (+/-)-

NSC 844

Orange x

Dipentene, technical grade

p-Mentha-1,8-diene, (+-)-

.alpha.-Limonene

DIPENTENE (+-)

EINECS 205-341-0

EINECS 231-732-0

1-Methyl-p-isopropenyl-1-cyclohexene

EPA Pesticide Chemical Code 079701

Mentha-1,8-diene

DTXSID2029612

UNII-9MC3I34447

CHEBI:15384

AI3-00739

NSC-844

NSC-21446

(+-)-(RS)-limonene

DL-p-mentha-1,8-diene

Mentha-1,8-diene, DL

.delta.-1,8-Terpodiene

8016-20-4

9MC3I34447

Terpenes and Terpenoids, limonene fraction

Methyl-4-isopropenylcyclohexene

DTXCID209612

NSC844

65996-98-7

(1)-1-Methyl-4-(1-methylvinyl)cyclohexene

1-Methyl-4-isopropenylcyclohexene

Methyl-4-isopropenyl-1-cyclohexene

NSC21446

Methyl-4-(1-methylethenyl)cyclohexene

NCGC00163742-03

4-(1-methylethenyl)-1-methyl-cyclohexene

(+/-)-1-METHYL-4-(1-METHYLETHENYL)CYCLOHEXENE

Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (.+/-.)-

Limonene 1000 microg/mL in Isopropanol

CAS-138-86-3

4-mentha-1,8-diene

TERPIN MONOHYDRATE IMPURITY C (EP IMPURITY)

TERPIN MONOHYDRATE IMPURITY C [EP IMPURITY]

Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (R)-

UN2052

Achilles dipentene

Dipentene, tech.

4-isopropenyl-1-methyl-cyclohexene

Nesol/from Table/

c0626

p-Mentha-1, dl-

d(R)-4-Isopropenyl-1-methylcyclohexene

limonene, (+-)-

(.+-.)-Limonene

(.+-.)-Dipentene

p-Menthane/from Table/

4 Mentha 1,8 diene

LIMONENE [HSDB]

LIMONENE [MI]

(.+/-.)-Dipentene

(.+/-.)-Limonene

DIPENTENE [VANDF]

DIPENTEN [WHO-DD]

Cyclohexene, (.+-.)-

Dipentene, p.a., 95%

(+-)-LIMONENE

1-METHYL-4-PROP-1-EN-2-YL-CYCLOHEXENE

p-Mentha-1,8(9)-diene

CHEMBL15799

(.+/-.)-.alpha.-Limonene

(+/-)-p-Mentha-1,8-diene

p-Mentha-1, (.+-.)-

HMS3264E05

Pharmakon1600-00307080

HY-N0544

LIMONENE, (+/-)-(II)

Tox21_112068

Tox21_201818

Tox21_303409

MFCD00062992

NSC757069

STK801934

1-methyl-4-isopropenylcyclohex-1-ene

LIMONENE, (+/-)- [II]

AKOS009031280

Cyclohexene, 4-Isopropenyl-1-methyl-

USEPA/OPP Pesticide Code 079701

WLN: L6UTJ A1 DY1 & U1

CCG-214016

FS-8076

MCULE-2462317444

p-Mentha-1,8-diene, (.+/-.)-

SB44847

UN 2052

NCGC00163742-01

NCGC00163742-02

NCGC00163742-04

NCGC00163742-05

NCGC00257291-01

NCGC00259367-01

turpentine oil terpenes limonene fraction

8050-32-6

NCI60_041856

1-methyl-4-(1-methylethenyl) cylcohexene

1-methyl-4-(prop-1-en-2-yl)cyclohexene

Dipentene [UN2052] [Flammable liquid]

Cyclohexene, 1-methyl-4-(1-methylethynyl)

DB-053490

DB-072716

CS-0009072

L0046

NS00067923

EN300-21627

C06078

D00194

E88572

AB01563249_01

Q278809

SR-01000872759

CYCLOHEXENE 1-METHYL-4-(1-METHYLETHENYL)-

J-007186

J-520048

SR-01000872759-1

4B4F06FC-8293-455D-8FD5-C970CDB001EE

Dipentene, mixt. of limonene, 56-64%, and terpinolene, 20-25%

1-Methyl-4-(1-methylethenyl)-or 1-methyl-4-isopropenyl-cyclohex-1-ene

555-08-8

65996-99-8

8022-90-0

Turpentine typically contains alpha-pinene (59%), beta-pinene (24%) and other isomeric terpenes(1). The Henry's Law constant for alpha- and beta-pinene have been measured as 0.134 and 0.0679 atm-cu m/mole respectively at 25 deg C(2). These Henry's Law constants indicate that alpha- and beta-pinene are expected to volatilize rapidly from water surfaces(3). Based on these Henry's Law constants, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3.4 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)(2) is estimated as 4.6 days(SRC). alpha- and beta-Pinene's Henry's Law constants indicate that volatilization from moist soil surfaces may occur(SRC). alpha- and beta-Pinene are expected to volatilize from dry soil surfaces(SRC) based upon respective vapor pressures of 4.75 and 2.93 mm Hg at 25 deg C(1).
Literature: (1) USEPA; Screening-Level Hazard Characterization, Bicyclic Terpene Hydrocarbons Category, September 2010; Available from, as of Dec 26, 2014: http://www.epa.gov/chemrtk/hpvis/hazchar/Category_Bicyclic%20Terpene%20Hydrocarbons_%20September_2010.pdf (2) Copolovici LO, Niinemets U; Chemosphere 61: 1390-400 (2005) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Literature: #The Henry's Law constant for limonene is estimated as 0.032 atm-cu m/mole(SRC) derived from its vapor pressure, 1.55 mm Hg(1), and water solubility, 7.57 mg/L(2). This Henry's Law constant indicates that limonene is expected to volatilize rapidly 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 3 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 5 days(SRC). Limonene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of limonene from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Boublik T et al; The vapor pressures of pure substances. Vol. 17. Amsterdam, Netherlands: Elsevier Sci Publ (1984) (2) Miller DJ, Hawthorne SB; J Chem Eng Data 44: 315-8 (2000) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Literature: #The Henry's Law constant for d-limonene is reported as 0.0281 atm-cu m/mole(1). This Henry's Law constant indicates that d-limonene is expected to volatilize rapidly from water surfaces(2). 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)(2) is estimated as 3.5 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)(2) is estimated as 4.6 days(SRC). d-Limonene's reported Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of d-limonene from dry soil surfaces may exist based upon a vapor pressure of 1.98 mm Hg(3).
Literature: (1) Copolovici LO, Niinemets U Chemosphere 61: 1390-400 (2005) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Yaws CL; Handbook of Vapor Pressure. Vol 3: C8-C28 Compounds. Houston, TX: Gulf Pub Co (1994)

In water, 0.65 to 2.1 mg/L at 25 deg C /primary pinene constituents of turpentine oil/
Literature: USEPA; Screening-Level Hazard Characterization, Bicyclic Terpene Hydrocarbons Category, September 2010. Available from, as of Dec 26, 2014: http://www.epa.gov/chemrtk/hpvis/hazchar/Category_Bicyclic%20Terpene%20Hydrocarbons_%20September_2010.pdf
Literature: #Insol in water
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1822
Literature: #Soluble in 5 volumes alcohol; miscible with benzene, chloroform, ether, carbon disulfide, petroleum ether and oils.
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1822
Literature: #SLIGHTLY SOL IN WATER; SOL IN 3 VOL ALCOHOL; MISCIBLE WITH CARBON DISULFIDE, GLACIAL ACETIC ACID
Literature: The Merck Index. 9th ed. Rahway, New Jersey: Merck & Co., Inc., 1976., p. 883
Literature: #In water, 7.57 mg/L at 25 deg C
Literature: Miller DJ, Hawthorne SB; J Chem Eng Data 44: 315-8 (2000)
Literature: #Miscible with alcohol
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1021
Literature: #Miscible with alcohol, ether.
Literature: Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. V4: 2827
Literature: #Slightly soluble in water
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1262
Literature: #Soluble in 2 vol 90% alcohol, 1 volume glacial acetic acid; miscible with absolute alcohol, carbon disulfide
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1262
Literature: #In water, 13.8 mg/L at 25 deg C
Literature: Massaldi HA, King CJ; J Chem Eng Data 18: 393-7 (1973)
Literature: #Miscible with ethanol and ether; soluble in carbon tetrachloride
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-338
Literature: #Miscible with fixed oils; slightly soluble in glycerin; insoluble in propylene glycol
Literature: Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. V4: 2741

Turpentine typically contains alpha-pinene (59%), beta-pinene (24%) and other isomeric terpenes(1). Using a structure estimation method based on molecular connectivity indices(2), the Koc of alpha- and beta-pinene can be estimated to be 1000(SRC). According to a classification scheme(3), this estimated Koc value suggests that alpha- and beta-pinene are expected to have low mobility in soil.
Literature: (1) USEPA; Screening-Level Hazard Characterization, Bicyclic Terpene Hydrocarbons Category, September 2010. Available from, as of Dec 26, 2014: http://www.epa.gov/chemrtk/hpvis/hazchar/Category_Bicyclic%20Terpene%20Hydrocarbons_%20September_2010.pdf (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Dec 27, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
Literature: #Using a structure estimation method based on molecular connectivity indices(1), the Koc for limonene can be estimated to be 1,100(SRC). According to a classification scheme(2), this estimated Koc value suggests that limonene is expected to have low mobility in soil(SRC).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Apr 24, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Literature: #Using a structure estimation method based on molecular connectivity indices(1), the Koc of d-limonene can be estimated to be 1120(SRC). According to a classification scheme(2), this estimated Koc value suggests that d-limonene is expected to have low mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Apr 24, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

MYRCENE

123-35-3

beta-Myrcene

7-Methyl-3-methyleneocta-1,6-diene

7-Methyl-3-methylene-1,6-octadiene

1,6-Octadiene, 7-methyl-3-methylene-

.beta.-Myrcene

7-methyl-3-methylideneocta-1,6-diene

beta-geraniolene

Myrcene (natural)

FEMA No. 2762

2-Methyl-6-methylene-2,7-octadiene

b-Myrcene

3-Methylene-7-methyl-1,6-octadiene

.beta.-Geraniolene

CCRIS 3725

NSC 406264

HSDB 1258

beta -myrcene

EINECS 204-622-5

UNII-3M39CZS25B

NSC-406264

BRN 1719990

3M39CZS25B

DTXSID6025692

CHEBI:17221

AI3-00738

MFCD00008908

7-Methyl-3-methylene-octa-1,6-diene

DTXCID205692

Myrcene (stabilized with BHT)

EC 204-622-5

4-01-00-01108 (Beilstein Handbook Reference)

7-Methyl-3-methyleneoctadiene-(1,6)

beta-Myrcene 1000 microg/mL in Isopropanol

b-Geraniolene

beta -mircene

Myrcene, .beta.-

MYRCENE [FHFI]

MYRCENE [HSDB]

MYRCENE [INCI]

Myrcene, technical grade

?-MYRCENE

MYRCENE [FCC]

b-Myrcene (>90%)

beta-MYRCENE (IARC)

Myrcene analytical standard

?-Myrcene (>90%)

|A-Myrcene (>90%)

Myrcene, analytical standard

FEMA NUMBER 2762

1, 7-methyl-3-methylene-

.BETA.-MYRCENE [MI]

CHEMBL455491

.BETA.-MYRCENE [IARC]

FEMA 2762

Methyl-3-methylene-1,6-octadiene

Methyl-6-methylene-2,7-octadiene

Methylene-7-methyl-1,6-octadiene

Octadiene, 7-methyl-3-methylene-

HY-N0803

WLN: 1Y1&U3YU1&1U1

Tox21_300351

BBL036906

NSC406264

STL477735

AKOS015904015

3-Methylene-7-methyl-1, 6-octadiene

LMPR0102010005

7-methyl-3-methylidene-octa-1,6-diene

Mycrene 1000 microg/mL in Isopropanol

Myrcene 1000 microg/mL in Isopropanol

NCGC00091420-01

NCGC00091420-02

NCGC00254252-01

CAS-123-35-3

Myrcene, >=95%, stabilized, FCC, FG

VS-13772

M0235

NS00005804

7-Methyl-3-methylene-1,6-octadiene (myrcene)

C06074

E80785

EN300-187797

A805060

Myrcene, primary pharmaceutical reference standard

Q424577

Q-201417

7-Methyl-3-methylene-1,6-octadiene (beta -myrcene)

InChI=1/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H

29463-45-4

N6Q

The Henry's Law constant for myrcene is estimated as 0.0916 atm-cu m/mole(SRC) derived from its vapor pressure, 2.09 mm Hg(1), and water solubility, 4.09 mg/L(2). This Henry's Law constant indicates that myrcene is expected to volatilize rapidly 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 3.4 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 4.6 days(SRC). Myrcene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of myrcene from dry soil surfaces may exist based upon a vapor pressure of 2.09 mm Hg(1).
Literature: (1) Haynes, W.M. (ed.); CRC Handbook of Chemistry and Physics. 91th ed. Boca Raton, FL: CRC Press Inc., p. 6-112 (2010-2011) (2) Yalkowsky SH et al eds; Handbook of aqueous solubility data. Second edition. Boca Raton, FL: CRC Press p. 714 (2010) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of myrcene can be estimated to be 1074(SRC). According to a classification scheme(2), this estimated Koc value suggests that myrcene is expected to have low mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011. Available from, as of Oct 19, 2011: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

beta-Bourbonene

(-)-beta-Bourbonene

5208-59-3

KIZ51R7NTL

(-)-.beta.-Bourbonene

b-bourbonene

.beta.-Bourbonene

(1S,2R,6S,7R,8S)-1-methyl-5-methylidene-8-propan-2-yltricyclo[5.3.0.02,6]decane

(1S,3aS,3bR,6aS,6bR)-1-Isopropyl-3a-methyl-6-methylenedecahydrocyclobuta[1,2:3,4]di[5]annulene

UNII-KIZ51R7NTL

beta-bourbenene

NSC-288727

Bourbonene, beta-

(E)-.beta.-Bourbonene

Decahydroisopropylmethylmethylenecyclobuta(1,2:3,4)dicyclopentene

LMPR0103870001

NSC 288727

1,2,3,3a,3bbeta,4,5,6,6abeta,6balpha-decahydro-1alpha-isopropyl-3aalpha-methyl-6-methylenecyclobuta(1,2:3,4)dicyclopentene

Cyclobuta(1,2:3,4)dicyclopentene, 1,2,3,3a,3bbeta,4,5,6,6abeta,6balpha-decahydro-1alpha-isopropyl-3aalpha-methyl-6-methylene

Cyclobuta(1,2:3,4)dicyclopentene, decahydro-3a-methyl-6-methylene-1-(1-methylethyl)-, (1S-(1alpha,3aalpha,3bbeta,6abeta,6balpha))-

Decahydro-3a-methyl-6-methylene-1-(1-methylethyl)cyclobuta(1,2:3,4)dicyclopentene, (1S-(1alpha,3aalpha,3bbeta,6abeta,6balpha))-

NS00022284

1,2,3,3A,3B.BETA.,4,5,6,6A.BETA.,6B.ALPHA.-DECA-HYDRO-L.ALPHA.-ISOPROPYL-3AA-METHYL-6-METHYLENE-CYCLOBUTA (1,2:3,4) DICYCLOPENTENE

CYCLOBUTA(1,2:3,4)DICYCLOPENTENE, DECAHYDRO-3A-METHYL-6-METHYLENE-1-(1-METHYLETHYL)-, (1S,3AS,3BR,6AS,6BR)-

delta-Elemene

Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-

4-ethenyl-4-methyl-1-propan-2-yl-3-prop-1-en-2-ylcyclohexene

20307-84-0

p-Menth-3-ene, 2-isopropenyl-1-vinyl-, (1S,2R)-(-)-

.delta.-EIemene

DTXSID00864301

CHEBI:229436

2-isopropenyl-1-vinyl-p-menth-3-ene

3-Isopropenyl-1-isopropyl-4-methyl-4-vinyl-1-cyclohexene-, (3R,4R)-

3-Isopropenyl-1-isopropyl-4-methyl-4-vinyl-1-cyclohexene-, (3R-trans)-

(3R-trans)-4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)cyclohexene

Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R,4R)-

delta-elemene,(3R-trans)-4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-cyclohexene,(1S,2R)-(-)-2-isopropenyl-1-vinyl-p-menth-3-ene

(+)-delta-Cadinene

483-76-1

DELTA-CADINENE

(1S,8aR)-1-Isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene

D-Cadinene

(+)-D-Cadinene

CHEBI:15385

7848KI47OS

(1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene

.delta.-Cadinene, (+)-

delta-Amorphene

(1S,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,3,5,6,8a-hexahydronaphthalene

(+)-?-Cadinene

UNII-7848KI47OS

(+)-??-Cadinene

(1S,8aR)-delta-cadinene

CADINENE, .DELTA.-

CHEMBL445759

FEMA NO. 4967

(+)-1(10),4-Cadinadiene

DTXSID70858792

MFCD02683434

AKOS016008860

LMPR0103330001

(+)-1S,8aR-Cadina-1(10),4-diene

1ST158489

DB-361881

C3734

NS00094789

C06394

F88000

Q27089406

NAPHTHALENE, DECAHYDRO-1,6-DIMETHYL-4- (1-METHYLETHYL)

(1S,8aR)-1-isopropyl-4,7-di-methyl-1,2,3,5,6,8a-hexahydronaphthalene

1,2,3,5,6,8a-Hexahydro-4,7-dimethyl-1-(1-methylethyl)-(1S,8aR)-Naphthalene

(-)-Germacrene D

Germacrene D

23986-74-5

V2I9ATG34E

(1E,6E,8S)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene

(1E,6E,8S)-1-methyl-5-methylidene-8-(propan-2-yl)cyclodeca-1,6-diene

(1E,5E)-germacra-1(10),4(15),5-triene

(1E,6E,8S)-8-isopropyl-1-methyl-5-methylenecyclodeca-1,6-diene

1(10),4(14),5-Germacratriene

(1E,6E,8S)-1-methyl-8-(1-methylethyl)-5-methylidenecyclodeca-1,6-diene

1-Methyl-5-methylene-8-(1-methylethyl)-1,6-cyclodecadiene

UNII-V2I9ATG34E

CHEBI:49044

CHEBI:49045

DTXSID101019972

(-)-(S)-germacrene D

(-)-(7S)-germacrene-D

(1E,6E)-1-methyl-5-methylidene-8-(propan-2-yl)cyclodeca-1,6-diene

DTXCID40909740

GAIBLDCXCZKKJE-QRYCCKSOSA-N

AKOS040733249

MS-23113

HY-125685

CS-0093013

Germacrene D (~90%) (Stabilized with Hydroquinone)

Q27121450

beta-Gurjunene

73464-47-8

U3RZ4VEY86

UNII-U3RZ4VEY86

(1aR,4R,4aR,7aR,7bR)-1,1,4-trimethyl-7-methylidene-2,3,4,4a,5,6,7a,7b-octahydro-1aH-cyclopropa[e]azulene

(1aR-(1aalpha,4alpha,4abeta,7abeta,7balpha))-Decahydro-1,1,4-trimethyl-7-methylene-1H-cycloprop(e)azulene

1H-Cycloprop(e)azulene, decahydro-1,1,4-trimethyl-7-methylene-, (1aR-(1aalpha,4alpha,4abeta,7abeta,7balpha))-

CHEBI:80940

DTXSID40994212

C17120

Q27154913

1,1,4-Trimethyl-7-methylidenedecahydro-1H-cyclopropa[e]azulene

(1aR,4R,4aR,7aR,7bR)-1,1,4-trimethyl-7-methylidenedecahydro-1H-cyclopropa[e]azulene

(1AR,4R,4AR,7AR,7BR)-DECAHYDRO-1,1,4-TRIMETHYL-7-METHYLENE-1H-CYCLOPROP(E)AZULENE

1H-CYCLOPROP(E)AZULENE, DECAHYDRO-1,1,4-TRIMETHYL-7-METHYLENE-, (1AR,4R,4AR,7AR,7BR)-