oct-3-en-2-one

Octenone

SCHEMBL230668

DTXSID1061867

DB-043671

NS00021738

1-Mercapto-2-propanone

1-sulfanylpropan-2-one

Mercaptoacetone

24653-75-6

2-Propanone, 1-mercapto-

1-Sulfanylacetone

mercapto-2-propanone

UNII-YAZ3C89IVG

YAZ3C89IVG

2-Propanone, 1-mercapto- (8CI,9CI)

acetonylmercaptan

mercaptopropanone

Acetonyl mercaptan

2-Oxopropanethiol

2-PROPANONE, MERCAPTO-

3-MERCAPTO-2-PROPANONE

FEMA NO. 3856

CHEBI:89835

FEMA 3856

DTXSID50179396

AKOS006274406

1-MERCAPTO-2-PROPANONE [FHFI]

NS00125789

EN300-92052

Q27162020

19872-52-7

4-Mercapto-4-methyl-2-pentanone

4-Mercapto-4-methylpentan-2-one

2-Pentanone, 4-mercapto-4-methyl-

4-methyl-4-sulfanylpentan-2-one

4-methyl-4-mercapto-2-pentanone

4-Methyl-4-mercaptopentan-2-one

4-Methyl-4-thiolpentan-2-one

4-Methyl-4-sulfanyl-2-pentanone

4-Sulfanyl-4-methylpentan-2-one

4-Sulphanyl-4-methylpentan-2-one

4-Methyl-4-mercapto-pentan-2-one

9524RG5ZQL

4-Mercapto-4-methyl-pentan-2-one

EINECS 243-386-8

UNII-9524RG5ZQL

4-MMP

SCHEMBL869584

FEMA3997

DTXSID8051839

FEMA NO. 3997

CHEBI:77856

LMFA12000335

MFCD00085208

AKOS006283682

2-MERCAPTO-2-METHYLPENTAN-4-ONE

AS-17349

DB-006870

M3271

NS00019881

4-methyl-4-mercaptopentan-2-one, AldrichCPR

D95275

4-MERCAPTO-4-METHYL-2-PENTANONE [FHFI]

A925051

J-012835

Q27147464

1-(Methylthio)-3-pentanone

66735-69-1

3-Pentanone, 1-(methylthio)-

1-methylsulfanylpentan-3-one

1-(Methylthio)pentan-3-one

Ethyl 2-(methylthio)ethyl ketone

1D904C7W5B

UNII-1D904C7W5B

1-(methylsulfanyl)pentan-3-one

1-methylthio-3-pentanone

1-Methylthiopentan-3-one

1-(methyl thio)-3-pentanone

SCHEMBL12943418

DTXSID80334890

LEZZIANNWFYCND-UHFFFAOYSA-N

1-(Methylsulfanyl)-3-pentanone #

AKOS013484784

NS00123112

Q27252274

VERBENONE

4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one

80-57-9

2-Pinen-4-one

dl-Verbenone

d-Verbenone

NSC6832

(S)-(-)-Verbenone

ST069322

Verbinone

Verbenone, (d)-

Verbenone, (L)-

Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1S)-

5480-12-6

NSC 6831

(-)-cis-verbenone

NSC 36846

Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1R)-

(1R-cis)-4,6,6-Trimethylbicyclo(3.1.1)hept-3-ene-2-one

4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one, (1R,5R)-

4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one, (1R-cis)-

NSC-6832

dextro-verbenone

S-Verbenone

2,6,6-trimethylbicyclo[3.1.1]hept-2-en-4-one

2-Pinen-4-one, (1S,5S)-(-)-

Verbenone (D,L-)

VERBENONE,(DL)

(-)-2-Pinen-4-one

SCHEMBL118161

Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1R-cis)-

DTXSID2048115

CHEBI:78315

(1s)-(-)-pin-2-en-4-one

BBL033979

STK801995

AKOS024283493

MCULE-1142475318

VS-12358

DB-061581

DB-075693

CS-0280756

NS00013256

NS00085225

V0072

EN300-89049

C09913

Q421151

(-)-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one

4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one, (1S,5S)-

camphor

76-22-2

2-Camphanone

DL-Camphor

2-Bornanone

(+/-)-Camphor

1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one

Bornan-2-one

(+)-Camphor

Alphanon

Kampfer

21368-68-3

Formosa camphor

Laurel camphor

Matricaria camphor

Camphor, synthetic

Bornane, 2-oxo-

1,7,7-Trimethylnorcamphor

464-48-2

Japan camphor

2-Camphonone

Huile de camphre

2-Kamfanon

l-(-)-Camphor

2-Keto-1,7,7-trimethylnorcamphane

1,7,7-Trimethylbicyclo[2.2.1]-2-heptanone

D-(+)-Camphor

Norcamphor, 1,7,7-trimethyl-

DTXSID5030955

CHEBI:36773

4,7,7-trimethylbicyclo[2.2.1]heptan-3-one

DL-Bornan-2-one

Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-

Caswell No. 155

SYNTHETIC CAMPHOR

DTXCID3010955

1,7,7-Trimethylbicyclo(2.2.1)-2-heptanone

1,7,7-Trimethylbicyclo(2.2.1)heptan-2-one

Zang Qi

HSDB 37

(-)-Alcanfor

MFCD00074738

( inverted exclamation markA)-Camphor

Camphor, (1R,4R)-(+)-

Camphor, (+/-)-

EINECS 200-945-0

EINECS 244-350-4

UNII-5TJD82A1ET

EPA Pesticide Chemical Code 015602

BRN 1907611

BRN 3196099

AI3-18783

(1RS,4RS)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-one

Formosa

Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (.+/-.)-

Camphor (USP)

EC 200-945-0

0-07-00-00135 (Beilstein Handbook Reference)

4-07-00-00213 (Beilstein Handbook Reference)

Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1R)-

racemic camphor

NSC26351

DisperseYellow3

MFCD00064149

Camphor, natural

DL-2-Bornanone

8008-51-3

()-Camphor

Heet (Salt/Mix)

Sarna (Salt/Mix)

(?)-Camphor

dl-Camphor (JP17)

(.+/-.)-Camphor

SCHEMBL16068

Camphor, (.+/-.)-

MLS001055495

CHEMBL15768

DivK1c_000724

GTPL2422

HMS502E06

KBio1_000724

Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1S)-

NINDS_000724

HMS2268A06

HMS3885J06

HY-N0808

Tox21_200237

BBL012963

s3851

s4516

STK803534

AKOS000118728

AKOS022060577

AC-5284

CCG-266237

CCG-266238

DB14156

LMPR0102120001

MCULE-2476865084

UN 2717

CAS-76-22-2

IDI1_000724

USEPA/OPP Pesticide Code: 015602

NCGC00090681-05

NCGC00090730-01

NCGC00090730-02

NCGC00090730-05

NCGC00257791-01

1ST40229

AC-15523

SMR000386909

SY035827

VS-03622

(1R,4R)-1,7,7-trimethylnorbornan-2-one

DB-051377

DB-056037

DB-070734

C1251

CS-0009813

NS00003762

4,7,7-trimethyl-3-bicyclo[2.2.1]heptanone

EN300-19186

1,7,7-trimethyl-bicyclo[2.2.1]heptan-6-one

C00809

C18369

D00098

E75814

1,7,7-Trimethyl-bicyclo[2.2.1]heptan-2-one

A838646

Q181559

Q-200784

W-109539

W-110530

(+/-)-1,7,7-trimethyl-bicyclo[2,2,1]heptane-2-one

F0001-0763

Z104473074

The Henry's Law constant for camphor is estimated as 8.3X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 0.65 mm Hg(1), and water solubility, 1.570X10+3 mg/L(2). This Henry's Law constant indicates that camphor 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 9 days(SRC). Camphor's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Camphor is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Jones AH; J Chem Eng Data 5: 196-200 (1960) (2) Yalkowky SH et al; Handbook of Aqueous Solubility Data. 2nd ed., Boca Raton, FL: CRC Press, p. 721 (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 camphor can be estimated to be 117(SRC). According to a classification scheme(2), this estimated Koc value suggests that camphor is expected to have high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of May 21, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Isomenthone

(-)-isomenthone

18309-28-9

L-isomenthone

dl-Isomenthone

cis-Menthone

(+/-)-isomenthone

36977-92-1

cis-p-menthone

p-Menthan-3-one, cis-

Isomenthone, (+/-)-

p-Menthan-3-one, (Z)-

.alpha.-isomenthone

Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5R)-rel-

491-07-6

(2S,5S)-5-methyl-2-propan-2-ylcyclohexan-1-one

(2S-cis)-2-(Isopropyl)-5-methylcyclohexan-1-one

cis-p-Menthan-3-one

Isomenthone, (-)-

(1S,4S)-Isomenthone

Cyclohexanone, 5-methyl-2-(1-methylethyl)-, cis-

11T7AFM2DS

9WZ3E2G6CL

(2S,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one

FEMA No. 3460

P-MENTHAN-3-ONE, CIS

(2S,5S)-2-Isopropyl-5-methylcyclohexan-1-one

(2S,5S)-2-isopropyl-5-methylcyclohexanone

Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (Z)-

d,l-Isomenthone

(+-)-isomenthone

(1R,4R)-p-menthan-3-one

isomenthon

(1)-Isomenthone

5-Methyl-2-(1-methylethyl)cyclohexanone

EINECS 242-194-1

alpha-ISOMENTHONE

starbld0039823

UNII-11T7AFM2DS

UNII-9WZ3E2G6CL

DL-ISOMENTHONE [FHFI]

(1S,4S)-p-menthan-3-one

(-)-Isomenthone (~80%)

SCHEMBL4395963

(+/-)-cis-p-menthan-3-one

CHEBI:36496

HY-N7259A

DTXSID501315467

EINECS 207-727-4

EINECS 253-295-5

(1S,4S)-(-)-p-menthan-3-one

MFCD00136032

(1R,4R)-(+)-p-Menthan-3-one

BRN 3195564

2-Isopropyl-5-methyl-cyclohexanone, cis

1074-95-9

1-Methyl-4-isopropyl-3-cyclohexanone, cis-

CS-0627180

NS00086041

cis-5-Methyl-2-(1-methylethyl)-cyclohexanone

C17125

EN300-157787

5-Methyl-2-(1-methylethyl)cyclohexanone, (Z)-

(2R,5R)-2-isopropyl-5-methylcyclohexanone, rel-

(2S,5S)-5-methyl-2-(propan-2-yl)cyclohexanone

4-07-00-00087 (Beilstein Handbook Reference)

(2S-cis)-5-methyl-2-(1-methylethyl)cyclohexanone

Q27116856

Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S,5S)-

CYCLOHEXANONE, 5-METHYL-2-(1-METHYLETHYL)-, CIS

apo-13-zeta-carotenone

SCHEMBL9770441

HGFAGNRYCRACAH-WWESEOGYSA-N

127-51-5

Alpha-isomethylionone

Cetone alpha

alpha-iso-Methylionone

3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one

Isomethyl-alpha-ionone

3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one

Isonaline 70

3-BUTEN-2-ONE, 3-METHYL-4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-

alpha-isomethyl ionone

FEMA No. 2714

Isomethylionone, alpha-

.alpha.-Cetone

(E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one

NSC 66432

.alpha. Isomethyl ionone

Isomethyl-.alpha.-ionone

(3E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one

.alpha.-Ionone, isomethyl-

9XP4LC555B

15789-90-9

4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-methyl-3-buten-2-one

Methyl-alpha-isoionone

4-(2,6,6-Trimethyl 2-cyclohexen-1-yl)-3-methyl-3-buten-2-one

alpha-Ionone, isomethyl-

(E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-enyl)but-3-en-2-one

Methyl-.alpha.-isoionone

Iso-.alpha.-methyl ionone

EINECS 204-846-3

DTXSID7027047

UNII-9XP4LC555B

AI3-36074

NSC-66432

Methyl ionone I

3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one, analytical standard

a-iso-Methylionone

Isomethyl-a-ionone

3-Methyl-a-ionone

8-Methyl-.alpha.-ionone

.alpha.-iso-Methyl ionone

ALPHAISOMETHYL IONONE

METHYL .GAMMA.-IONONE

SCHEMBL160940

CHEMBL3183353

ISOMETHYLIONONE (ALPHA-)

FEMA 2714

DTXCID00809691

DTXSID10859248

CHEBI:179835

Alpha-iso-methylionone, tech grade

Tox21_300152

MFCD00034582

STK801849

ALPHA-ISOMETHYL IONONE [INCI]

AKOS015899855

.ALPHA.-ISOMETHYLIONONE [FHFI]

HY-W127740

NCGC00247909-01

NCGC00254048-01

(+/-)-ISOMETHYL-.ALPHA.-IONONE

CAS-127-51-5

CS-0185934

M0647

NS00003923

alpha-Cetone, odorant used in allergy studies

alpha-Isomethyl ionone, >=95%, stabilized, FG

A889185

Q2204200

W-109462

3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one #

(3E)-3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one

Nerylacetone

3879-26-3

cis-Geranylacetone

(5Z)-6,10-dimethylundeca-5,9-dien-2-one

(Z)-Geranylacetone

(E)-geranyl acetone

5,9-Undecadien-2-one, 6,10-dimethyl-, (Z)-

(Z)-6,10-dimethylundeca-5,9-dien-2-one

KZ9PY9FK2P

5,9-Undecadien-2-one,6,10-dimethyl-, (5Z)-

5,9-Undecadien-2-one, 6,10-dimethyl-, cis-

5,9-Undecadien-2-one, 6,10-dimethyl-,(Z)-

Dihydropseudoionone

geranylaceton

Geranyl-Acetone

6,10-dimethyl-5,9-undecadiene-2-one

(5E)-6,10-Dimethyl-5,9-undecadien-2-one

UNII-KZ9PY9FK2P

SCHEMBL790270

FEMA 3542

6,10-Dimethyl-Undecadien-2-one

CHEBI:229389

68228-05-7

MFCD00074898

AKOS024307561

cis-6,10-dimethyl-5,9-undecadien-2-one

trans-2,6-Dimethyl-2,6-undecadien-2-one

NS00114070

(E)-6,10-dimethyl-5,9- undecadien-2-one

6,10-Dimethyl-(5E)-5,9-Undecadien-2-one

6,10-dimethyl-5,9-undecadien-2-one, (E)

(5Z)-6,10-dimethyl-undeca-5,9-dien-2-one

F73615

(5Z)-6,10-Dimethyl-5,9-undecadien-2-one #

Q67879718

1117-52-8

Farnesylacetone

Farnesyl acetone

(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one

E,E-farnesylacetone

762-29-8

5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (5E,9E)-

(E,E)-farnesylacetone

trans,trans-farnesylacetone

Farnesyl acetone, (5E,9E)-

(E,E)-6,10,14-Trimethylpentadeca-5,9,13-trien-2-one

CHEBI:67252

3S0G4N267H

MFCD00036517

5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (E,E)-

6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one

5,9,13-Pentadecatriene-2-one, 6,10,14-trimethyl-

(5E,9E)-6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one

5,9,13-PENTADECATRIEN-2-ONE, 6,10,14-TRIMETHYL-

farnesylacetol

Farnezylacetone

UNII-3S0G4N267H

EINECS 214-246-3

trans, trans-farnesylacetone

(5E,9E)-farnesyl acetone

2,6,10-Trimethyl-2,6,10-pentadecatrien-14-one

FEMA No. 3442

CHEMBL486207

SCHEMBL17273769

UNII-26A08O86E6

DTXSID50883648

EINECS 212-097-9

AKOS015963256

26A08O86E6

MCULE-4966055907

AS-56645

AS-70344

CS-0031615

FEMA NO. 3442, (5E,9E)-

NS00013299

D70272

EN300-6481226

A894696

Q27135719

Pentadeca-5,9,13-triene-2-one, 6,10,14-trimethyl-

(5E,9E)-6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one #

5,9,13-Pentadecatrien-2-one, 6,10,14-trimethhyl-, [E,E]

(E,E)-6,10,14-TRIMETHYL-5,9,13-PENTADECATRIEN-2-ONE

BETA-IONONE

79-77-6

14901-07-6

(E)-beta-Ionone

trans-beta-Ionone

4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one

4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one

(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one

(E)-4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one

.beta.-Ionone

b-ionone

beta-E-Ionone

4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one

beta-Cyclocitrylideneacetone

3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-

FEMA No. 2595

CCRIS 6249

NSC 402758

beta-Ionon

(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one

UNII-A7NRR1HLH6

A7NRR1HLH6

EINECS 238-969-9

Ionone, .beta.-

3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-

CCRIS 4289

beta-Ionone (trans)

trans-.beta.-Ionone

DTXSID4021769

CHEBI:32325

(E)-|A-Ionone

IONONE, BETA

EINECS 201-224-3

EINECS 288-959-3

(E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one

MFCD00001549

NSC-46137

9-apo-beta-caroten-9-one

NSC-402758

3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-

BRN 1909544

.beta.-Cyclocitrylideneacetone

AI3-25073

DTXCID901769

4-(2,6,6-Trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one

HSDB 8269

.beta.-Ionene

EC 201-224-3

EC 238-969-9

2-07-00-00140 (Beilstein Handbook Reference)

NSC46137

85949-43-5

4-(2,6,6-Trimethyl-1(or 2)-cyclohexen-1-yl)-3-buten-2-one

trans-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one

ss-Ionone

CAS-79-77-6

WLN: L6UTJ A1U1V1 B1 F1 F1

(E)-.beta.-Ionone

4-(2,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one

3-Buten-2-one,6,6-trimethyl-1-cyclohexen-1-yl)-

4-(2,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one

4-(2,6-Trimethyl-1-cyclohexen-l-yl)-3-buten-2-one

DTXSID9025451

[E]-4-[2,6,6-trimethyl-1-cyclohexen-1-yl]-3-buten-2-one

beta ionone

beta -ionone

beta -E-ionone

Ionone, beta-

|A-Jonone

Trans-beta -ionone

(E)-beta -ionone

beta-Ionone, 96%

beta-Ionone, synthetic

BETA-IONONE [FCC]

(3E)-BETA-IONONE

.beta.-Ionone isomer # 1

.beta.-Ionone isomer # 2

SCHEMBL23953

.BETA.-IONONE [MI]

.BETA.-IONONE [FHFI]

US9144538, beta-Ionone

CHEMBL559945

beta-Ionone, analytical standard

DTXCID3027952

US9138393, ?-Ionone

FEMA 2595

BETA-CYCLOCITRYLIDENACETONE

3-BENZYLAMINO-PROPIONICACID

BDBM181139

HY-W015084A

Tox21_201454

Tox21_300709

Tox21_302862

BBL009828

NSC402758

STK801279

beta-Ionone, natural, >=85%, FG

AKOS000121023

CS-W015800

HY-W015084

beta-Ionone, purum, >=95.0% (GC)

NCGC00248145-01

NCGC00248145-02

NCGC00256534-01

NCGC00257517-01

NCGC00259005-01

AM806748

AS-68699

VS-02204

beta-Ionone, natural (US), >=85%, FG

CAS-14901-07-6

CS-0149266

NS00001727

EN300-18432

D70747

EN300-755077

F81525

beta-Ionone, predominantly trans, >=97%, FCC, FG

J-008542

W-104258

Q27114873

4-(2,6,6-Trimethyl-1-cyclohexen-l-yl)-3-buten-2-one

F0451-1336

(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)-but-3-en-2-one

(E)-4-(2,6,6-trimethylcyclohex-1-enyl)but-3-en-2-one

4-(2,6,6-trimethyl-1-cyclohexene-1-yl)-3-buten-2-one

(3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one

4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-(E)-3-Buten-2-one

(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl) but-3-en-2-one

3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)

InChI=1/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7

The Henry's Law constant for beta-ionone is estimated as 8.1X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 0.054 mm Hg(1), and water solubility, 169 mg/L(1). This Henry's Law constant indicates that beta-ionone is expected to volatilize 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 19 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 10 days(SRC). beta-Ionone's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Even though the vapor pressure is low environmentally at standard temperature and pressure, there is a detectable odor; therefore, beta-ionone may volatilize from dry soil(SRC).
Literature: (1) Fichan I et al; J Chem Eng Data 44: 56-62 (1999) (2) 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 beta-ionone can be estimated to be 670(SRC). According to a classification scheme(2), this estimated Koc value suggests that beta-ionone is expected to have low mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of July 13, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

(-)-Carvone

6485-40-1

l-Carvone

(R)-(-)-Carvone

L(-)-Carvone

(R)-2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-enone

(R)-Carvone

Levo-carvone

R-(-)-Carvone

(4R)-Carvone

2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (5R)-

(-)-(R)-Carvone

(-)-p-Mentha-6,8-dien-2-one

Carvone, (-)-

l-Carvone (natural)

CHEBI:15400

(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one

(-)-(4R)-carvone

l-p-Mentha-1(6),8-dien-2-one

UNII-5TO7X34D3D

l-1-Methyl-4-isopropenyl-6-cyclohexen-2-one

5TO7X34D3D

(R)-(-)-p-Mentha-6,8-dien-2-one

l-6,8(9)-p-Menthadien-2-one

(R)-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-one

CARVONE, L-

EINECS 229-352-5

MFCD00001578

(4R)-(-)-Carvone

p-Mentha-6,8-dien-2-one, (-)-

Carvol

AI3-36200

(R)-5-Isopropenyl-2-methyl-2-cyclohexenone

DTXSID7041413

EC 229-352-5

(R)-5-isopropenyl-2-methylcyclohex-2-en-1-one

(5R)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one

(4R)-p-mentha-1(6),8-dien-2-one

FEMA NO. 2249, (-)-

p-Mentha-6,8-dien-2-one, (R)-(-)-

2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (R)-

(R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one

2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (theta)-

r-carvone

(l)-carvone

07V

(+) Carvone

CARVONE L-FORM

CARVONE [FHFI]

bmse000500

Epitope ID:141509

CARVONE L-FORM [MI]

(5R)-5-isopropenyl-2-methyl-cyclohex-2-en-1-one

SCHEMBL230994

(-)-CARVONE [FCC]

(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one

CHEMBL2229268

DTXCID5021413

(R)-(-)-Carvone, 98%

L-Carvone, natural, 99%, FG

(-)-Carvone, analytical standard

(R)-p-mentha-6,8-dien-2-one

L-Carvone, >=97%, FCC, FG

Tox21_300931

AKOS006343214

CS-W018139

HY-W017423

LMPR0102090007

MCULE-7452592467

NCGC00248214-01

NCGC00254833-01

AC-13342

CAS-6485-40-1

(R)-CARVONE (CONSTITUENT OF MYRRH)

NS00095818

C01767

D70933

EN300-298834

(R)-(-)- P-MENTHA-6,8-DIEN-2-ONE

(R)-CARVONE (CONSTITUENT OF MYRRH) [DSC]

A834902

W-104816

(-)-Carvone, primary pharmaceutical reference standard

(R)-5-Isopropenyl-2-methyl-2-cyclohexenone, Carvol

Q27089417

2-Methyl-5-(1-methylethenyl)-(R)-2-Cyclohexen-1-one

Z1201618601

(R)-2-METHYL-5-(1- METHYLETHENYL)-2-CYCLOHEXEN-1-ONE

The Henry's Law constant for carvone is estimated as 7.73X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that carvone is expected to volatilize 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 11 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 9 days(SRC). Carvone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Carvone has an estimated vapor pressure of 0.115 mm Hg(SRC), determined from a fragment constant method(3) and exists as a liquid under environmental conditions; therefore, carvone may volatilize from dry soil(SRC).
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 pp. 15-1 to 15-29 (1990) (3) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 14, 2016: http://www2.epa.gov/tsca-screening-tools

Using a structure estimation method based on molecular connectivity indices(1), the Koc of carvone can be estimated to be 140(SRC). According to a classification scheme(2), this estimated Koc value suggests that carvone 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 14, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)

alpha-Thujone

546-80-5

(-)-alpha-thujone

alpha-(-)-Thujone

THUJONE

Thujon

l-Thujone

(-)-3-Isothujone

(-)-3-thujanone

Absinthol

UNII-R0SQ9G0DU5

EINECS 208-912-2

NSC 93742

BRN 4660369

CCRIS 8582

CHEBI:9577

(1S,4R,5R)-thujan-3-one

3-Thujanone, (-)-

(+-)-Isothujone

(1S,4R,5R)-(-)-3-thujanone

59573-80-7

R0SQ9G0DU5

3-Thujanone, (1S,4R,5R)-(-)-

DTXSID3026148

(1S,4R,5R)-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-one

Bicyclo(3.1.0)hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S,4R,5R)-

(-)-Thujone

MFCD00001313

(1S,4R)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one

(1S,4R,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one

(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one

dl-Thujone

Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S,4R,5R)-

racemic 3-Isothujone

.alpha.-Thujone

(-)-|A-Thujone

86HK1QRJ4K

3-Thujanone, (+-)-

CHEBI:50040

(1S,4R,5R)-1-isopropyl-4-methylbicyclo(3.1.0)hexan-3-one

(1S,4R,5R)-4-methyl-1-(propan-2-yl)bicyclo(3.1.0)hexan-3-one

NSC-93742

L-alpha-Thujone

(1S-(1alpha,4alpha,5alpha))-4-methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-one

?-Thujone

[1S-(1alpha,4alpha,5alpha)]-4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one

??-Thujone

(-)-trans-Thujone

(-)-a-Thujone

ALFA-THUJONE

(-)- alpha -Thujone

(-)-alpha,beta-Thujone

a-(-)-THUJONE

THUJONE, .ALPHA.-

MLS001065588

SCHEMBL122447

.ALPHA.-THUJONE [MI]

DTXCID206148

GTPL5344

CHEMBL1444078

USMNOWBWPHYOEA-MRTMQBJTSA-N

HMS3039B05

(1R,2R,5S)-5-isopropyl-2-methyl-bicyclo[3.1.0]hexan-3-one

Tox21_200868

(-)-Thujone ((-)-alpha-Thujone)

(1S,4R,5R)- 3-THUJANONE

AKOS040759330

LMPR0102120019

Bicyclo(3.1.0)hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1-alpha,4-alpha,5-alpha)-(+-)-

NCGC00091438-01

NCGC00091438-02

NCGC00164360-01

NCGC00258422-01

CAS-546-80-5

MS-22862

SMR000568469

(-)-alpha-Thujone, >=96.0% (GC)

1ST163943

HY-121618

CS-0082886

NS00003614

C09906

Q421838

(-)-alpha-Thujone, (1S,4R)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one

BICYCLO(3.1.0)HEXAN-3-ONE, 4-METHYL-1-(1-METHYLETHYL)-, (1S,5R)-

The Henry's Law constant for alpha,beta-thujone is estimated as 1.6X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that alpha,beta-thujone is expected to volatilize 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 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)(2) is estimated as 26 days(SRC). alpha,beta-Thujone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). alpha,beta-Thujone is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 0.45 mm Hg(SRC), determined from a fragment constant method(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 pp. 15-1 to 15-29 (1990) (3) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 13, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm

In water, 407 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 12, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
Literature: #Practically insoluble 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. 1739
Literature: #Soluble in alcohol and many organic solvents
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1739

Using a structure estimation method based on molecular connectivity indices(1), the Koc of alpha,beta-thujone can be estimated to be 390(SRC). According to a classification scheme(2), this estimated Koc value suggests that alpha,beta-thujone is expected to have very moderate mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 13, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Pinocarvone

3-Nopinenone

30460-92-5

2(10)-Pinen-3-one

alpha-Pinocarvone

16812-40-1

6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-one

Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-methylene-

6,6-dimethyl-2-methylidene-norpinan-3-one

(+/-)-2(10)-Pinen-3-one

6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3-one

(1)-2(10)-Pinen-3-one

(+/-)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3-one

Bicyclo(3.1.1)heptan-3-one, 6,6-dimethyl-2-methylene-

EINECS 250-211-9

.alpha.-Pinocarvone

pina-2(10)-ene-3-one

SCHEMBL217966

CHEBI:28996

DTXSID90865544

LMPR0102090023

2(10)-Pinen-3-one, (.+/-.)-

NS00051554

C09884

Q27104017

6138-85-8

4-(2,2,6-Trimethylcyclohexyl)-2-butanone

Tetrahydroionone

4-(2,2,6-trimethylcyclohexyl)butan-2-one

2-Butanone, 4-(2,2,6-trimethylcyclohexyl)-

EINECS 228-122-1

AI3-34639

4-(2,6,6-Trimethylcyclohexyl)butan-2-one

SCHEMBL1149570

DTXSID40863696

CHEBI:211745

4-Methoxyaniline-2,5-disulfonicacid

MFCD00045490

AKOS006230098

DB-053861

4-(2,2,6-trimethylcyclohexyl)-butan-2-one

CS-0236123

NS00046063

4-(2,2,6-Trimethylcyclohexyl)-2-butanone #

EN300-1692469

4-(2,2,6-Trimethylcyclohexyl)-2-butanone, AldrichCPR

4-(2,2,6-Trimethylcyclohexyl)-2-butanone, cis + trans

Isopinocamphone

14575-93-0

(-)-Isopinocamphone

cis-3-pinanone

(1S,2S,5R)-2,6,6-TRIMETHYLBICYCLO[3.1.1]HEPTAN-3-ONE

Q366628FXX

Bicyclo(3.1.1)heptan-3-one, 2,6,6-trimethyl-, (1R,2R,5S)-rel-

[1S-(1alpha,2beta,5alpha)]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one

(1S-(1alpha,2beta,5alpha))-2,6,6-Trimethylbicyclo(3.1.1)heptan-3-one

Isocamphopinone

Isopinocamphon

S-pinocamphone

UNII-Q366628FXX

EINECS 238-619-5

EINECS 239-394-6

EINECS 250-212-4

CIS-PINOCAMPHONE

ISOPINOCAMPHONE [FHFI]

(+/-)-ISOPINOCAMPHONE

FEMA NO. 4198

SCHEMBL15210011

DTXSID30881208

CHEBI:171987

MQPHVIPKLRXGDJ-RNJXMRFFSA-N

CIS-(+/-)-3-PINANONE

NS00043385

EN300-20155131

Q27286945

(1)-(1alpha,2beta,5alpha)-2,6,6-Trimethylbicyclo(3.1.1)heptan-3-one

Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1alpha,2beta,5alpha)-

BICYCLO(3.1.1)HEPTAN-3-ONE, 2,6,6-TRIMETHYL-, (1.ALPHA.,2.BETA.,5.ALPHA.)-

(-)-Menthone

MENTHONE

14073-97-3

l-MENTHONE

(2S,5R)-2-isopropyl-5-methylcyclohexanone

trans-Menthone

p-Menthone

89-80-5

Neomenthone

Menthone racemic

Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S,5R)-

L-Menthan-3-one

DL-Menthone

trans-Menthan-3-one

trans-p-Menthan-3-one

(1R,4S)-(-)-p-Menthan-3-one

p-Menthan-3-one, trans-

FEMA No. 2667

(-)-(2S,5R)-Menthone

(1R,4S)-p-menthan-3-one

(2S,5R)-5-methyl-2-(propan-2-yl)cyclohexanone

(2S,5R)-5-methyl-2-(1-methylethyl)cyclohexanone

(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one

(2S-trans)-5-methyl-2-(1-methylethyl)cyclohexanone

Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans-

(-)-(1R,4S)-menthone

(2S,5R)-5-METHYL-2-(1-METHYLETHYL)-CYCLOHEXANONE

DTXSID3044384

CHEBI:15410

(-)-5-Methyl-2-(1-methylethyl)cyclohexanone

5F709W4OG4

(2S,5R)-5-Methyl-2-(Propan-2-Yl)Cyclohexan-1-One

Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S-trans)-

Menthone (natural)

DTXCID1024384

p-Menthan-3-one racemic

(dl)-Menthone

5-Methyl-2-(1-methylethyl)cyclohexanone

CAS-14073-97-3

CCRIS 5747

HSDB 1268

p-Menthan-3-one, dl-

EINECS 201-941-1

EINECS 214-049-2

UNII-9NH5J4V8FN

menthon

UNII-5F709W4OG4

AI3-11106

Menthone G

MFCD00062998

trans-p-menthone

1-menthone

(-)menthone

5-Methyl-2-(1-methylethyl)cyclohexanone, trans-

NCGC00095606-01

Cyclohexan-1-one, 2-isopropyl-5-methyl-, racemic

EINECS 237-926-1

Menthan-3-one, trans

Spectrum_001299

rel-(2R,5S)-2-isopropyl-5-methylcyclohexanone

(-)-Menthone,(S)

MENTHONE [FHFI]

SpecPlus_000437

MENTHONE, L-

L-MENTHONE [MI]

Spectrum2_000691

Spectrum3_001272

Spectrum4_001648

Spectrum5_000495

(2S,5R)-2-isopropyl-5-methyl-cyclohexanone

bmse000375

(-)-Menthone, 90%

EC 237-926-1

9NH5J4V8FN

SCHEMBL21709

BSPBio_002864

KBioGR_002115

KBioSS_001779

MENTHONE, (-)-

SPECTRUM300564

DivK1c_006533

SPBio_000841

(1S)-trans-p-menthan-3-one

(-)-MENTHONE [FCC]

CHEMBL276311

DTXSID2044478

KBio1_001477

KBio2_001779

KBio2_004347

KBio2_006915

KBio3_002364

Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans-(+/-)-

(-)-Menthone, analytical standard

HY-N7916

Tox21_111510

Tox21_302153

CCG-38562

MFCD00136033

AKOS006343213

Tox21_111510_1

LMPR0102090004

MCULE-4105322469

SDCCGMLS-0066582.P001

2-Isopropyl-5-methylcyclohexanone, trans

NCGC00095606-02

NCGC00178425-01

NCGC00255957-01

1ST40039

AS-17440

(2S,5R)2-isopropyl-5-methylcyclohexanone

CS-0138798

1-METHYL-4-ISOPROPYLCYCLOHEXAN-3-ONE

C00843

EN300-383879

G66775

(-)-Menthone (contains up to 15% D-Menthone)

(2S,5R)-2-Isopropyl-5-methylcyclohexan-1-one

(2S, 5R)-trans-2-isopropyl-5-methylcyclohexanone

Q424902

SR-05000002387

5-Methyl-2-(1-methylethyl)-(2S,5R)-Cyclohexanone

pound inverted exclamation markA pound(c)-Menthone

SR-05000002387-1

W-108194

5-Methyl-2-(1-methylethyl)-(2S-trans)-Cyclohexanone

(-)-Menthone, primary pharmaceutical reference standard

rel-(2S,5R)-5-methyl-2-(1-methylethyl)-cyclohexanone

Z1201619246

Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans-(.+/-.)-

1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s

InChI=1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s

The Henry's Law constant for menthone is estimated as 1.6X10-4 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that menthone is expected to volatilize 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 approximately 0.5 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)(2) is estimated as approximately 8 days(SRC). Menthone's Henry's Law constant(1,SRC) indicates that volatilization from moist soil surfaces may occur(SRC). Menthone is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 0.28 mm Hg(SRC) determined from a fragment constant method(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 pp. 15-1 to 15-29 (1990) (3) Lyman WJ; p. 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE (eds), Boca Raton,FL: CRC Press (1985)

The Koc of menthone is estimated as approximately 120(SRC), using a water solubility of 688 mg/l(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that menthone is expected to have high mobility in soil(SRC).
Literature: (1) Suzuki T; Computer-Aided Mol Design 5: 149-66 (1991) (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: 23 (1983)

d-Carvone

2244-16-8

(S)-(+)-Carvone

(+)-Carvone

(S)-Carvone

(S)-2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-enone

D(+)-Carvone

Carvone, (+)-

(+)-(S)-Carvone

D-(+)-Carvone

(S)-(+)-p-Mentha-6,8-dien-2-one

S-(+)-carvone

Carvol

d-Carvone (natural)

(+)-(4S)-carvone

(5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one

p-Mentha-6,8-dien-2-one, (S)-(+)-

2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (5S)-

CCRIS 2385

d-1-Methyl-4-isopropenyl-6-cyclohexen-2-one

CHEBI:15399

UNII-4RWC1CMS3X

2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (S)-

4RWC1CMS3X

(S)-d-p-Mentha-6,8,(9)-dien-2-one

(S)-2-Methyl-5-(1-methylvinyl)cyclohex-2-en-1-one

EINECS 218-827-2

d-p-Mentha-6,8,(9)-dien-2-one

(4S)-carvone

DTXSID8020256

AI3-39004

(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one

CARVONE D-

CARVONE, D-

2-Methyl-4-(1 -methylethenyl)-2-cyclohexene-1 -one

DTXCID00256

(5S)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one

(S)-2-methyl-5-(1-methylethenyl)-2-Cyclohexen-1-one

(S)-5-isopropenyl-2-methylcyclohex-2-en-1-one

d-p-Mentha-6,8(9)-dien-2-one

MFCD00062997

(4S)-p-mentha-1(6),8-dien-2-one

FEMA NO. 2249, (+)-

(S)-5-Isopropenyl-2-methyl-2-cyclohexenone

(5S)-2-methyl-5-(1-methylethenyl)cyclohex-2-en-1-one

Talent

CAS-2244-16-8

(S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one

s-carvone

d-carvon

D-?Carvone

(+)carvone

S(+)-Carvone

D-CARVOL

CARVONE D-FORM

Epitope ID:141510

CARVONE D-FORM [MI]

MLS002415723

SCHEMBL184022

(+)-CARVONE [FCC]

D-Carvone, >=96%, FG

CHEMBL501949

(5S)-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-one

(S)-(+)-Carvone, 96%

(+)-Carvone, analytical standard

HMS3039E10

Tox21_201441

Tox21_302743

s6049

AKOS016843871

AM84798

CS-W014295

DS-4662

HY-W013579

NCGC00091882-01

NCGC00091882-02

NCGC00091882-03

NCGC00091882-04

NCGC00256315-01

NCGC00258992-01

SMR001370898

NS00067074

EN300-393032

O10215

A816212

5-Isopropenyl-2-methyl-2-cyclohexen-1-one, (S)-

Q-200930

Q27889969

Z1255356261

(+)-Carvone, certified reference material, TraceCERT(R)

D-Carvone 2-Methyl-5-(1-methylethenyl)-2-cyclohexene-1-one

0WU

The Henry's Law constant for carvone is estimated as 7.73X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that carvone is expected to volatilize 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 11 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 9 days(SRC). Carvone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Carvone has an estimated vapor pressure of 0.115 mm Hg(SRC), determined from a fragment constant method(3) and exists as a liquid under environmental conditions; therefore, carvone may volatilize from dry soil(SRC).
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 pp. 15-1 to 15-29 (1990) (3) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 14, 2016: http://www2.epa.gov/tsca-screening-tools

Using a structure estimation method based on molecular connectivity indices(1), the Koc of carvone can be estimated to be 140(SRC). According to a classification scheme(2), this estimated Koc value suggests that carvone 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 14, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)

(.+/-.)-Fenchone

1,3,3-Trimethylbicyclo[2.2.1]heptan-2-one

1195-79-5

214-804-6

CAS-1195-79-5

dl-fenchone

EINECS 214-804-6

Fenchone

fenchone, (+-)-isomer

alpha-Fenchone

1,3,3-Trimethyl-2-norbornanone

2-Norbornanone, 1,3,3-trimethyl-

Fenchon

1,3,3-Trimethyl-2-norcamphanone

Bicyclo[2.2.1]heptan-2-one, 1,3,3-trimethyl-, (1S,4R)-

126-21-6

D-FENCHONE, 96

CHEBI:4999

DTXSID9025324

NCGC00166292-01

1,3-Trimethylnorcamphor

NSC 8896

NSC 122687

Bicyclo[2.2.1]heptan-2-one, 1,3,3-trimethyl-

1,3-Trimethyl-2-norbornanone

1,3-Trimethyl-2-norcamphanone

2-Norbornanone,3,3-trimethyl-

WLN: L55 A CVTJ B1 D1 D1

1,3-Trimethylbicyclo[2.2.1]heptan-2-one

Bicyclo[2.2.1]heptan-2-one,3,3-trimethyl-

NSC-8896

iso-Fenchone

MFCD00151104

fenchan-2-one

NSC-122687

(1R)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-one

SCHEMBL57584

DTXCID305324

CHEMBL2268554

NSC8896

AMY25685

Tox21_112396

BBL018824

MFCD00248429

NSC122687

s5934

STK802502

AKOS009158536

LMPR0102120016

MCULE-7563797223

VS-06784

DB-017638

DB-070766

F0163

F0164

NS00012481

1.3.3-trimethylbicyclo(2.2.1)heptan-2-one

EN300-54085

C09859

1,3,3-Trimethyl-bicyclo[2.2.1]heptan-2-one

Bicyclo[2.2.1]heptane-2-one,1,3,3-trimethyl

A872224

Q414784

SR-01000945193

SR-01000945193-1

Z804948554

Bicyclo[2.2.1]heptan-2-one, 1,3,3-trimethyl-, (.+/-.)-