BETA-IONOL Structure

BETA-IONOL

Chemical Properties

Boiling point 107 °C3 mm Hg(lit.)
Density  0.928 g/mL at 20 °C(lit.)
refractive index  n20/D 1.501
FEMA  3625 | BETA-IONOL
FLAVIS Number 02.106 | 4-(2,2,6-Trimethyl-1-cyclohexenyl)but-3-en-2-ol
Flash point 93.4 °C
pka 14.68±0.20(Predicted)
form  liquid
Odor at 100.00 %. sweet herbal floral violet tropical balsam woody
Odor Type floral
JECFA Number 392
BRN  1866761
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,11,14H,5-6,9H2,1-4H3/b8-7+
InChIKey CNOPDZWOYFOHGN-BQYQJAHWSA-N
SMILES CC(O)\C=C\C1=C(C)CCCC1(C)C
LogP 4.33
Substances Added to Food (formerly EAFUS) BETA-IONOL
EWG's Food Scores 1
EPA Substance Registry System 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- (22029-76-1)
UNSPSC Code 12352100
NACRES NA.22
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Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302-H227
Precautionary statements P210-P280-P370+P378-P403+P235-P264-P270-P301+P312-P330-P501
Safety Statements  23-24/25
WGK Germany  2
RTECS  EM9630000
F  10-23
TSCA  TSCA listed
Storage Class 10 - Combustible liquids
Toxicity rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Chemical Toxicology. Vol. 26, Pg. 361, 1988.

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