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ChemicalBook--->CAS DataBase List--->22029-76-1

22029-76-1

22029-76-1 Structure

22029-76-1 Structure
IdentificationBack Directory
[Name]

BETA-IONOL
[CAS]

22029-76-1
[Synonyms]

β-Ionol
FEMA 3625
BETA-IONOL
IONOL, BETA
beta-Ionol technical, >=90% (GC)
4-(2,6,6-Trimethylcyclohex-1-en-1-yl)
4-(2,6,6-TRIMETHYL-1-CYCLOHEXENYL)-3-BUTEN-2-OL
1-(1,3,3-Trimethylcyclohexene-2-yl)-1-butene-3-ol
4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-o
4-(2,6,6-trimethyl-cyclohex-1-enyl)-but-3-en-2-ol
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-ol
But-3-en-2-ol, 4-(2,6,6-trimethyl-1-cyclohexenyl)-
3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
(3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-ol
[EINECS(EC#)]

244-735-7
[Molecular Formula]

C13H22O
[MDL Number]

MFCD00036597
[MOL File]

22029-76-1.mol
[Molecular Weight]

194.31
Chemical PropertiesBack Directory
[Boiling point ]

107 °C3 mm Hg(lit.)
[density ]

0.928 g/mL at 20 °C(lit.)
[FEMA ]

3625 | BETA-IONOL
[refractive index ]

n20/D 1.501
[Fp ]

93.4 °C
[form ]

neat
[pka]

14.68±0.20(Predicted)
[Odor]

at 100.00 %. sweet herbal floral violet tropical balsam woody
[Odor Type]

floral
[JECFA Number]

392
[BRN ]

1866761
[LogP]

4.33
[EPA Substance Registry System]

3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- (22029-76-1)
Questions And AnswerBack Directory
[limited use]

FEMA (mg/kg): 1.0 for non-alcoholic beverages; 1.5 for frozen dairy products, dairy products, fruit ice products, and imitation dairy products; 2.0 for gel products, puddings, confectionery, frosting, jam, and jelly; 2.5 for gummies ; Bakery 3.0; Hard Candy 4.0; Gum 5.0.
Safety DataBack Directory
[Safety Statements ]

23-24/25
[WGK Germany ]

2
[RTECS ]

EM9630000
[F ]

10-23
[Toxicity]

rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Chemical Toxicology. Vol. 26, Pg. 361, 1988.
Hazard InformationBack Directory
[Description]

β-Ionol has a sweet, floral-balsamic warm odor.
[Chemical Properties]

β-Ionol has a sweet, floral-balsamic, warm odor.
[Uses]

β-Ionol can be used as food spice, suitable for the preparation of rose, lavender and other flavors.
[Definition]

ChEBI:Beta-Ionol is a sesquiterpenoid.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 37, p. 2992, 1972 DOI: 10.1021/jo00984a018
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