CAS number
79-77-6

Molecular formula
C13H20O

SMILES
CC1=C(C(CCC1)(C)C)/C=C/C(=O)C

Safety labels

Retention indicies (RI)

• DB5: 1493.14
• Carbowax: 1933.86

floral	92.85%
woody	88.62%
fruity	79.61%
sweet	77.26%
violet	70.42%
berry	69.8%
orris	62.96%
powdery	62.69%
raspberry	56.31%
tropical	49.94%

Scent© AI

XLogP3-AA
2.9 Well soluble in DEP, IAA, BB

Molecular weight
192.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Melting points

• -35 °C

Boiling points

• 284 °F at 18 mmHg (NTP, 1992)
• 271 °C at 760 mm Hg
• Pale yellow to yellow liquid; Specific gravity: 0.933-0.937 25/25 °C; Boiling point: 126-128 °C at 12 mm Hg /mixed ionone isomers/
• 266.00 to 269.00 °C. @ 760.00 mm Hg

Flash points

• greater than 235 °F (NTP, 1992)
• > 113 °C (> 235 °F) - closed cup

Solubilities

• Slightly soluble (NTP, 1992)
• In water, 169 mg/L at 25 °C
• Soluble in alcohol, most fixed oils, propylene glycol. Insoluble in glycerin
• Miscible with absolute alcohol. Soluble in 2 to 3 parts of 70% alcohol, ether, chloroform, benzene. Very slightly soluble in water. /mixed ionone isomers/
• soluble in alcohol, propylene glycol, most fixed oils; insoluble in glycerol and water
• 1 ml in 3 ml 70% alcohol (in ethanol)

• 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
• b-ionone
• 4-(2,6,6-Trimethyl-1-cyclohexenyl)-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
• beta-E-Ionone
• .beta.-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)-
• (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
• FEMA No. 2595
• CCRIS 6249
• NSC 402758
• beta-Ionon
• UNII-A7NRR1HLH6
• A7NRR1HLH6
• EINECS 238-969-9
• MFCD00001549
• Ionone, .beta.-
• CCRIS 4289
• beta-Ionone (trans)
• trans-.beta.-Ionone
• DTXSID4021769
• CHEBI:32325
• (E)-|A-Ionone
• IONONE, BETA
• 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
• EINECS 201-224-3
• EINECS 288-959-3
• (E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
• 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
• beta-Ionone, synthetic
• (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%
• |A-Ionone (Standard)
• 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
• BDBM181139
• AAA07977
• HY-W015084A
• HY-W015084R
• 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
• 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
• 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