alpha-ionol
4-(2,6,6-trimethyl-2-cyclohexenyl)but-3-en-2-ol
 
Notes:
Used as a food additive [EAFUS] Present in grape and raspberry. Flavouring ingredient
  • Bedoukian Research
    • Bedoukian Research, Inc.
      Constantly Improving
      Working closely with our customers to meet their requirements.
      Paul Bedoukian founded the company to fill a niche as a supplier of high quality specialty aroma and flavor ingredients. In 1975 the company began manufacturing insect pheromones which are chemically similar to flavor and fragrance ingredients. Today, Bedoukian Research offers more than 450 Aroma Chemicals and 50 Insect Pheromones, while also providing custom manufacturing services to the pharmaceutical, agrochemical, and specialty chemical industries.
      US Email: Customer Service
      US Voice: 1-203-830-4000
      US Fax: 1-203-830-4010
      News
      Products List: View
      Product(s):
      260 alpha-IONOL ≥90.0%, Kosher
      SDS
      For woody, vetiver, violet applications.
      Used in cherry, berry and spice flavors.
       
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
      US Email: Technical Services
      US Email: Sales
      US Voice: (973) 740-2300
      US Fax: (973) 740-1839
      Product(s):
      09-03895 IONOL, ALPHA, Kosher
       
Synonyms   Articles   Notes   Search
4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-ol (Click)
CAS Number: 25312-34-9Picture of molecule
ECHA EINECS - REACH Pre-Reg: 246-815-7
FDA UNII: 4QI2W5Y52K
Nikkaji Web: J181.800G
Beilstein Number: 2327829
MDL: MFCD00036594
XlogP3-AA: 3.00 (est)
Molecular Weight: 194.31754000
Formula: C13 H22 O
NMR Predictor: Predict (works with chrome or firefox)
Also(can) Contains: (E)-alpha-ionol
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 391  alpha-ionol
Flavis Number: 02.105 (Old)
DG SANTE Food Flavourings: 02.105  4-(2,6,6-trimethyl-2-cyclohexenyl)but-3-en-2-ol
FEMA Number: 3624  alpha-ionol
FDA Mainterm: ALPHA-IONOL
Synonyms   Articles   Notes   Search   Top
Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 99.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 0.91200 to 0.92000 @  25.00 °C.
Pounds per Gallon - (est).: 7.589 to  7.655
Refractive Index: 1.48500 to 1.49200 @  20.00 °C.
Boiling Point: 127.00 °C. @ 15.00 mm Hg
Boiling Point: 70.00 °C. @ 4.00 mm Hg
Vapor Pressure: 0.001000 mm/Hg @ 25.00 °C. (est)
Flash Point: 200.00 °F. TCC ( 93.33 °C. )
logP (o/w): 4.492 (est)
Soluble in:
 alcohol
 water, 21.02 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
(E)-alpha-ionol
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
Odor Type: floral
Odor Strength: medium
 tropical  sweet  floral  violet  woody  
Odor Description:
at 100.00 %. 
ionone tropical sweet floral violet woody
Luebke, William tgsc, (1995)
 berry  sweet  woody  floral  powdery  
Odor Description:
Berry, sweet ionone-like, with a woody floral powdery note
Mosciano, Gerard P&F 18, No. 1, 43, (1993)
 woody  sweet  berry  
Taste Description:
at 10.00 ppm.  
Woody ionone-like with a sweet perfume berry nuance
Mosciano, Gerard P&F 18, No. 1, 43, (1993)
Substantivity: 88 Hour(s)
  
Synonyms   Articles   Notes   Search   Top
Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
Synonyms   Articles   Notes   Search   Top
Suppliers:
Bedoukian Research
alpha-IONOL
≥90.0%, Kosher
Odor: Elegant violet, vetiver note for mellow ionone effect with woody (cedar) undertones
Use: For woody, vetiver, violet applications.
Flavor: berry
Used in cherry, berry and spice flavors.
Creatingperfume.com
alpha-Ionol
Odor: Elegant violet, vetiver
Parchem
alpha-ionol
Penta International
IONOL, ALPHA, Kosher
Perfumery Laboratory
ALPHA-IOLOL Bedoukian (alpha-IONOL Bedoukian)
Odor: Elegant, violet with soft vetiver notes
Santa Cruz Biotechnology
For experimental / research use only.
a-Ionol
Sigma-Aldrich
For experimental / research use only.
a-Ionol technical, ≥90% (GC)
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
Safety in Use Information:
Category: flavor and fragrance agents
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: --
Synonyms   Articles   Notes   Search   Top
Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of alicyclic substances used as flavor ingredients.View pdf
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,-unsaturated alicyclic ketones and precursors from chemical subgroup 2.4 of FGE.19
View page or View pdf
EPI System: View
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
Synonyms   Articles   Notes   Search   Top
References:
 4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-ol
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 25312-34-9
Pubchem (cid): 5363817
Pubchem (sid): 135058835
Pherobase: View
Synonyms   Articles   Notes   Search   Top
Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Everything Added to Food in the United States (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
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
No odor group found for these
(E)-beta-methyl iononeFL/FR
acidic
2-methyl-2-pentenoic acidFL/FR
alliaceous
 methyl furfuryl disulfideFL/FR
amber
 amber oxepinFR
 ambrette seed absoluteFL/FR
anisic
para-anisyl phenyl acetateFL/FR
balsamic
siam benzoin resinFL/FR
siam benzoin resinoidFL/FR
 fir balsam absoluteFR
 guaiacyl phenyl acetateFL/FR
caramellic
 maltyl isobutyrateFL/FR
creamy
 veratraldehydeFL/FR
ethereal
 propyl formateFL/FR
floral
 benzyl isobutyrateFL/FR
 boronia absoluteFL/FR
alpha-damasconeFL/FR
 dimethyl alpha-iononeFR
 heliotropyl acetoneFL/FR
alpha-iononeFL/FR
beta-iononeFL/FR
beta-ironeFL/FR
alpha-ironeFL/FR
N-methyl iononeFR
alpha-isomethyl ionone (50% min.)FL/FR
alpha-isomethyl ionone (60% min.)FL/FR
alpha-isomethyl ionone (70% min.)FL/FR
alpha-isomethyl ionone (80% min.)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
 nerolin fragarolFL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 rose carboxylateFR
fruity
isoamyl butyrateFL/FR
 benzaldehydeFL/FR
3-benzyl-4-heptanoneFL/FR
 berry hexanoateFR
 butyl hexanoateFL/FR
 ethyl 2-hydroxy-3-methyl valerateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 heliotropyl isobutyrateFL/FR
beta-ionone epoxideFL/FR
 linalyl isobutyrateFL/FR
 methyl 2-methyl valerateFL/FR
3-nonen-2-oneFL/FR
 osmanthus flower absoluteFL/FR
isopropenyl acetateFL/FR
 raspberry ketone methyl etherFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 styralyl butyrateFL/FR
 tropical iononeFL/FR
 vanilla carboxylateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
 thiogeraniolFL/FR
 violet dienyneFR
herbal
 linalyl octanoateFL/FR
mentholic
 menthyl acetate racemicFL/FR
musk
3-methyl-6-cyclohexadecen-1-oneFR
 musk etherFR
powdery
(E)-alpha-methyl ionone (44-50%)FL/FR
(E)-alpha-methyl ionone (50-60%)FL/FR
smoky
2,6-dimethoxyphenolFL/FR
soapy
 ambrettolideFL/FR
spicy
2,5-dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate + 1,4-dimethyl bicyclo(3.2.1)-2-octen-3-yl acetateFR
 nutmeg oilFL/FR
sulfurous
 blackberry thiophenoneFL/FR
 buchu mercaptanFL/FR
 mango thiolFL/FR
waxy
(E)-2-octen-1-yl butyrateFL/FR
 diethyl dimethyl-2-cyclohexenoneFR
 juniper berry oleoresinFL/FR
 sandal pentenoneFR
 santalyl acetateFL/FR
 timber propanolFR
4,6,11-trimethyl-5-oxatricyclo(6.2.2.0*4,9*)dodec-6-eneFR
 vetiveryl acetateFL/FR
 violet propanolFR
 woody dioxolaneFR
 woody epoxideFR
 
For Flavor
 
No flavor group found for these
 allyl tiglateFL
para-anisyl phenyl acetateFL/FR
 blackberry thiophenoneFL/FR
alpha-campholene acetateFL
 ethyl 2-hydroxy-3-methyl valerateFL/FR
 heliotropyl isobutyrateFL/FR
beta-ionone epoxideFL/FR
beta-ironeFL/FR
 menthyl acetate racemicFL/FR
(E)-beta-methyl iononeFL/FR
(E)-alpha-methyl ionone (44-50%)FL/FR
(E)-alpha-methyl ionone (50-60%)FL/FR
alpha-isomethyl ionone (50% min.)FL/FR
alpha-isomethyl ionone (60% min.)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
(E)-2-octen-1-yl butyrateFL/FR
(E)-2-octen-4-olFL
 osmanthus flower absoluteFL/FR
 peru balsamFL
 vetiveryl acetateFL/FR
balsamic
siam benzoin resinFL/FR
siam benzoin resinoidFL/FR
berry
 heliotropyl acetoneFL/FR
 raspberry ketone methyl etherFL/FR
coffee
 methyl furfuryl disulfideFL/FR
creamy
 veratraldehydeFL/FR
ethereal
isopropenyl acetateFL/FR
floral
alpha-iononeFL/FR
 linalyl isobutyrateFL/FR
alpha-isomethyl ionone (70% min.)FL/FR
alpha-isomethyl ionone (80% min.)FL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 tropical iononeFL/FR
fruity
 benzaldehydeFL/FR
 benzyl isobutyrateFL/FR
3-benzyl-4-heptanoneFL/FR
 boronia absoluteFL/FR
 butyl hexanoateFL/FR
alpha-damasconeFL/FR
 ethyl 3-oxohexanoateFL
 ethyl methyl-para-tolyl glycidateFL/FR
 furfuryl isovalerateFL
 linalyl octanoateFL/FR
 methyl 2-methyl valerateFL/FR
 nerolin fragarolFL/FR
 propyl formateFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 styralyl butyrateFL/FR
 vanilla carboxylateFL/FR
green
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
jammy
 maltyl isobutyrateFL/FR
medicinal
2,6-dimethoxyphenolFL/FR
minty
 thiogeraniolFL/FR
oily
3-nonen-2-oneFL/FR
 tetrahydrofurfuryl propionateFL
phenolic
 guaiacyl phenyl acetateFL/FR
soapy
 ambrettolideFL/FR
sour
2-methyl-2-pentenoic acidFL/FR
spicy
 nutmeg oilFL/FR
sulfurous
 buchu mercaptanFL/FR
 mango thiolFL/FR
waxy
isoamyl butyrateFL/FR
woody
 ambrette seed absoluteFL/FR
beta-iononeFL/FR
alpha-ironeFL/FR
 juniper berry oleoresinFL/FR
 methyl ionyl acetateFL/FR
 santalyl acetateFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 berryFR
 cherryFR
 nutFL
 powderFR
 raspberryFR
 spiceFR
 vetiverFR
 violetFR
 woodyFR
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 champaca concrete @ 0.10%
Data  GC  Search Trop  Picture
 raspberry red raspberry fruit
Search Trop  Picture
Synonyms   Articles   Notes   Search   Top
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
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