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)

ISOPHORONE

78-59-1

Isoacetophorone

3,5,5-Trimethylcyclohex-2-en-1-one

Isoforone

Isooctopherone

Isoforon

Izoforon

3,5,5-Trimethyl-2-cyclohexen-1-one

3,5,5-Trimethylcyclohex-2-enone

2-Cyclohexen-1-one, 3,5,5-trimethyl-

Isophoron

alpha-Isophorone

.alpha.-Isophoron

1,1,3-Trimethyl-3-cyclohexene-5-one

3,5,5-Trimethyl-2-cyclohexenone

.alpha.-Isophorone

NCI-C55618

3,5,5-Trimethyl-2-cyclohexen-1-on

FEMA No. 3553

3,5,5-Trimetil-2-cicloesen-1-one

Isophorone, 97%

NSC 403657

3,5,5-Trimethyl-2-cyclohexene-1-one

2BR99VR6WA

DTXSID8020759

CHEBI:34800

NSC4881

3,5,5-Trimethylcyclohexen-2-one-1

3,3,5-Trimethyl-2-cyclohexen-1-one

NSC-403657

Izoforon [Polish]

DTXCID40759

3,5-Trimethyl-2-cyclohexenone

Isoforone [Italian]

Caswell No. 506

3,5-Trimetil-2-cicloesen-1-one

3,5-Trimethyl-2-cyclohexen-1-one

1,3-Trimethyl-3-cyclohexene-5-one

3,5-Trimethyl-2-cyclohexene-1-one

WLN: L6V BUTJ C1 D1 D1

2-Cyclohexen-1-one,5,5-trimethyl-

CAS-78-59-1

CCRIS 1353

HSDB 619

ISOPHORONE, REAG

EINECS 201-126-0

3,5-Trimethyl-2-cyclohexen-1-on (GERMAN, DUTCH)

UNII-2BR99VR6WA

EPA Pesticide Chemical Code 047401

BRN 1280721

3,5,5-Trimethylcyclohexenone

a-Isophorone

AI3-00046

3,5,5-Trimethylcyclohexen one

alpha -isophoron

alpha -isophorone

3,5,5-Trimetil-2-cicloesen-1-one [Italian]

ISOACETOPHORON

nchem.180-comp3

3,5,5-Trimethyl-2-cyclohexen-1-on [German, Dutch]

1,5,5-Trimethyl-1-cyclohexen-3-one

ISOPHORONE [MI]

ISOPHORONE [FHFI]

ISOPHORONE [HSDB]

EC 201-126-0

SCHEMBL22522

Isophorone, >=97%, FG

4-07-00-00165 (Beilstein Handbook Reference)

BIDD:ER0627

Isophorone, analytical standard

CHEMBL1882894

FEMA 3553

3,5,5-trimethyl-cyclohex-2-enone

HY-Y0932

NSC-4881

Tox21_202312

Tox21_300050

BBL027346

MFCD00001584

NSC403657

s2998

STK801792

AKOS000120392

AKOS025243269

3,5,5-trimethylcyclohex-2-ene-1-one

3,5,5-trimethylcyclohexa-2-en-1-one

MCULE-5564101474

3,3,5-trimethyl-cyclohex-5-en-1-one

3,5,5-trimethyl-cyclohex-2-en-1-one

1,1, 3-Trimethyl-3-cyclohexene-5-one

1,3,3-TRIMETHYLCYLOHEXEN-5-ONE

3,5, 5-Trimethyl-2-cyclohexene-1-one

NCGC00164006-01

NCGC00164006-02

NCGC00164006-03

NCGC00254115-01

NCGC00259861-01

3,3,5-trimethyl-cyclohex-5 -en-1-one

AC-10580

VS-08530

1,5,5-TRIMETHYL-3-OXOCYCLOHEXENE

Isophorone, Vetec(TM) reagent grade, 97%

CS-0015924

I0151

NS00005755

EN300-20384

D72515

A839454

Q415519

W-104274

F0001-2053

Z104477948

InChI=1/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H

The Henry's Law constant for isophorone is estimated as 6.6X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 0.438 mm Hg(1), and water solubility, 12,000 mg/l(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)(3) is estimated as 7 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 52 days(SRC). Isophorone's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Isophorone is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) Parrish CF; Kirk-Othmer Encycl Chem Tech 3rd; NY, NY: Wiley-Intrsci 21: 377-401 (1983) (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 isophorone is estimated as 200(SRC), using a log Kow of 1.7(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that isophorone is expected to have moderate mobility in soil.
Literature: (1) Veith GD et al; pp. 116-29 in Aquatic Toxicology. Easton JG et al, eds. Amer Soc Test Mat ASTM STP 707 (1980) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)