22029-76-1

Name BETA-IONOL
CAS 22029-76-1
EINECS(EC#) 244-735-7
Molecular Formula C13H22O
MDL Number MFCD00036597
Molecular Weight 194.31
MOL File 22029-76-1.mol
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Chemical Properties

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
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
EPA Substance Registry System 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- (22029-76-1)

Safety Data

Safety Statements 
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.

Hazard Information

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