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alpha-ionol

Chemical Structure

General Material Information

Preferred name alpha-ionol
Trivial Name α-Ionol
Short Description 4-(2,6,6-trimethyl-2-cyclohexenyl)but-3-en-2-ol
Formula C13 H22 O
CAS Number 25312-34-9
FEMA Number 3624
Flavis Number 2.105
ECHA Number 246-815-7
FDA UNII 4QI2W5Y52K
Nikkaji Number J181.800G
Beilstein Number 2327829
MDL MFCD00036594
xLogP3-AA 3.00 (est)
NMR Predictor External link
JECFA Food Flavoring 391 alpha-ionol
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 25312-34-9 ; ALPHA-IONOL
Synonyms
  • 3-buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
  • a- ionol
  • ionol, alpha
  • 4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-ol
  • 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol
  • alpha-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol
  • alpha-4-2,6,6-trimethyl-2-cyclohexenyl-3-buten-2-ol
  • 4-(2,6,6-trimethyl-2-cyclohexenyl)-3-buten-2-ol
  • 4-(2,6,6-trimethyl-2-cyclohexenyl)but-3-en-2-ol
  • 4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol
  • 3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-
  • 3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
  • (3E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol
  • α-Ionol
  • (3E)-4-(2,6,6-Trimethyl-2-cyclohexenyl)-3-buten-2-ol
  • Latilure
  • 4-(2,6,6-Trimethyl-2-cyclohexenyl)but-3-en-2-ol

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB38731
FooDB:FDB018141
Export Tariff Code:2906.19.5000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 194.31753540039
Specific gravity @ 25 °C
Pounds per Gallon 7.63 to 7.689
Refractive Index 1.488 to 1.492 @ 20 °C
Vapor Pressure 0.001 mmHg @ 25 °C
Flash Point TCC Value 93.33 °C TCC
logP (o/w) 4.492 est
Solubility
alcohol Yes
water, 21.02 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
tropical, sweet, floral, violet, woody, berry, powdery
Odor strength medium
Substantivity 88 hour(s) at 100.00 %
Luebke, William tgsc, (1995) At 100.00 %. ionone tropical sweet floral violet woody
Mosciano, Gerard P&F 18, No. 1, 43, (1993) Berry, sweet ionone-like, with a woody floral powdery note
Flavor Type: Woody
woody, sweet, berry
Mosciano, Gerard P&F 18, No. 1, 43, (1993) At 10.00 ppm. Woody ionone-like with a sweet perfume berry nuance
Used in cherry, berry and spice flavors. Berry

Occurrences

Potential Uses

Applications
Odor purposes Berry, Cherry, Powder, Raspberry, Spice, Vetiver, Violet, Woody
Flavoring purposes Nut
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LDLo 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 359, 1988.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 359, 1988.

Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for alpha-ionol usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.61 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.06 (μg/capita/day)
Structure Class: I
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 12
Click here to view publication 12
average usual ppmaverage maximum ppm
baked goods: -3.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -5.00000
condiments / relishes: --
confectionery froastings: -2.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.00000
fruit ices: -1.50000
gelatins / puddings: -2.00000
granulated sugar: --
gravies: --
hard candy: -4.00000
imitation dairy: -2.00000
instant coffee / tea: --
jams / jellies: -2.00000
meat products: --
milk products: -2.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: -2.50000
soups: --
sugar substitutes: --
sweet sauces: --

Safety references

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 210: alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.4 of FGE.19[1]
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 210 Revision 2 (FGE.210Rev2): Consideration of genotoxic potential for a,ß-unsaturated alicyclic ketones and precursors from chemical subgroup 2.4 of FGE.19
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):25312-34-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5363817
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-ol
Chemidplus:0025312349
RTECS:EM9630050 for cas# 25312-34-9