beta-Cyclocitrylideneacetone

PSQYTAPXSHCGMF-BQYQJAHWSA-N

.beta.-Cyclocitrylideneacetone

AC1LCVGO

BETA-IONONE

beta-Ionon

trans-beta-Ionone

beta-Ionone, analytical standard

A7NRR1HLH6

beta-E-Ionone

IONONE, BETA

AC1Q1JB4

UNII-A7NRR1HLH6

Nat. Beta Ionone

UNII-QP734LIN1K component PSQYTAPXSHCGMF-BQYQJAHWSA-N

.beta.-Ionene

.beta.-Ionone

SCHEMBL23953

CHEMBL559945

LS-871

NSC46137

trans-.beta.-Ionone

BDBM181139

C12287

CCRIS 6249

HSDB 8269

(E)-beta-Ionone

AK116682

AK155870

AM806748

BBL009828

beta-Ionone, 96%

DTXSID4021769

Jsp002814

NSC402758

OR048073

OR342596

SBB017514

STK801279

CHEBI:32325

DSSTox_CID_1769

Z-1830

ZINC3881456

AJ-46632

AN-19278

DSSTox_GSID_21769

FCH2253011

FCH4510490

NSC-46137

5,7-Megastigmadien-9-one

BB_NC-0321

DSSTox_RID_76315

MFCD00001549

ZINC03881456

Ionone, .beta.-

KB-186187

KB-237357

NSC 402758

NSC-402758

RTR-006010

ST24035055

ST50306954

TR-006010

WT-131223

9-apo-beta-caroten-9-one

AKOS000121023

BB_NC-00321

J-008542

W-104258

4CH-024696

FT-0622918

FT-0627280

FT-0670401

.beta.-Ionone isomer # 1

.beta.-Ionone isomer # 2

79-77-6

I14-13931

I14-18323

BBV-75856003

Tox21_201454

Tox21_302862

US9144538, beta-Ionone

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

CAS-79-77-6

8013-90-9

NCGC00248145-01

NCGC00248145-02

NCGC00256534-01

NCGC00259005-01

US9138393, ?-Ionone

EINECS 238-969-9

EINECS 288-959-3

14901-07-6

85949-43-5

EC 201-224-3

EC 238-969-9

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

MolPort-001-783-113

1353674-22-2

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

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

WLN: L6UTJ A1U1V1 B1 F1 F1

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

4-(2,6,6-Ey(1/4)x>>u-1->>.(1/4) masculineI(c)>>u)-3- paragraph sign inverted exclamation markI(c)-2-I feminine

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)