EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

alpha-ionol
4-(2,6,6-trimethyl-2-cyclohexenyl)but-3-en-2-ol

Sponsors

CAS Number: 25312-34-9Picture of molecule3D/inchi
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:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: ALPHA-IONOL
 
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
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium
Substantivity:88 hour(s) at 100.00 %
tropical sweet floral violet woody
Odor Description:at 100.00 %. ionone tropical sweet floral violet woody
Luebke, William tgsc, (1995)
Odor sample from: Bedoukian Research, Inc.
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)
Flavor Type: woody
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)
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
alpha-IONOL ≥90.0%, Kosher
Odor Description:Elegant violet, vetiver note for mellow ionone effect with woody (cedar) undertones
For woody, vetiver, violet applications.
Taste Description:berry
Used in cherry, berry and spice flavors.
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
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.
BOC Sciences
For experimental / research use only.
alpha-IONOL 90.0%
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)
 
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
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
 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,-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
 
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
 
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
 
Potential Blenders and core components note
For Odor
No odor group found for these
(E)-beta-
methyl ionone
FL/FR
acidic
acidic
2-
methyl-2-pentenoic acid
FL/FR
alliaceous
methyl furfuryl disulfide
FL/FR
amber
amber oxepin
FR
ambrette seed absolute
FL/FR
anisic
para-
anisyl phenyl acetate
FL/FR
balsamic
siam
benzoin resin
FL/FR
siam
benzoin resinoid
FL/FR
fir balsam absolute
FR
guaiacyl phenyl acetate
FL/FR
linalyl cinnamate
FL/FR
berry
raspberry ketone methyl ether
FL/FR
caramellic
maltyl isobutyrate
FL/FR
citrus
citronellone
FR
creamy
veratraldehyde
FL/FR
ethereal
iso
propyl formate
FL/FR
propyl formate
FL/FR
floral
benzyl isobutyrate
FL/FR
boronia absolute
FL/FR
alpha-
damascone
FL/FR
dimethyl alpha-ionone
FR
4-
dimethyl ionone
FR
heliotropyl acetone
FL/FR
alpha-
ionone
FL/FR
beta-
ionone
FL/FR
iris specialty
FR
beta-
irone
FL/FR
alpha-
irone
FL/FR
lilac pentanol
FL/FR
N-
methyl ionone
FR
alpha-iso
methyl ionone (50% min.)
FL/FR
alpha-iso
methyl ionone (60% min.)
FL/FR
alpha-iso
methyl ionone (70% min.)
FL/FR
alpha-iso
methyl ionone (80% min.)
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
methyl ionyl acetate
FL/FR
nerolin fragarol
FL/FR
orris butenone
FR
orris rhizome absolute (iris germanica)
FL/FR
orris rhizome absolute (iris pallida)
FL/FR
orris rhizome concrete butter (iris pallida)
FL/FR
orris rhizome oil (iris germanica)
FL/FR
orris rhizome resinoid (iris pallida)
FL/FR
phytol
FL/FR
rose carboxylate
FR
tetrahydroionol
FR
fruity
iso
amyl butyrate
FL/FR
benzaldehyde
FL/FR
3-
benzyl-4-heptanone
FL/FR
berry hexanoate
FR
butyl hexanoate
FL/FR
(E)-beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
ethyl 2-hydroxy-3-methyl valerate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
heliotropyl isobutyrate
FL/FR
beta-
ionone epoxide
FL/FR
linalyl isobutyrate
FL/FR
methyl 2-methyl valerate
FL/FR
3-
nonen-2-one
FL/FR
octyl propionate
FL/FR
osmanthus flower absolute
FL/FR
iso
propenyl acetate
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
styralyl butyrate
FL/FR
tropical ionone
FL/FR
vanilla carboxylate
FL/FR
green
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
neryl butyrate
FL/FR
thiogeraniol
FL/FR
violet dienyne
FR
herbal
linalyl octanoate
FL/FR
mentholic
menthyl acetate racemic
FL/FR
musk
3-
methyl-6-cyclohexadecen-1-one
FR
musk ether
FR
orris
beta-
methyl ionone
FL/FR
powdery
(E)-alpha-
methyl ionone (44-50%)
FL/FR
(E)-alpha-
methyl ionone (50-60%)
FL/FR
smoky
2,6-
dimethoxyphenol
FL/FR
soapy
ambrettolide
FL/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 acetate
FR
nutmeg oil
FL/FR
sulfurous
blackberry thiophenone
FL/FR
buchu mercaptan
FL/FR
mango thiol
FL/FR
waxy
(E)-2-
octen-1-yl butyrate
FL/FR
woody
diethyl dimethyl-2-cyclohexenone
FR
juniper berry oleoresin
FL/FR
sandal pentenone
FR
santalyl acetate
FL/FR
timber propanol
FR
1-(5',5',6'-
trimethyl bicyclo(2.2.1)hept-2'-yl) propan-2-one
FR
4,6,11-
trimethyl-5-oxatricyclo(6.2.2.0*4,9*)dodec-6-ene
FR
vetiveryl acetate
FL/FR
violet propanol
FR
woody dioxolane
FR
woody epoxide
FR
For Flavor
No flavor group found for these
allyl tiglate
FL
blackberry thiophenone
FL/FR
alpha-
campholene acetate
FL
ethyl 2-hydroxy-3-methyl valerate
FL/FR
beta-
ionone epoxide
FL/FR
menthyl acetate racemic
FL/FR
(E)-beta-
methyl ionone
FL/FR
(E)-alpha-
methyl ionone (44-50%)
FL/FR
(E)-alpha-
methyl ionone (50-60%)
FL/FR
alpha-iso
methyl ionone (60% min.)
FL/FR
(E)-2-
octen-1-yl butyrate
FL/FR
(E)-2-
octen-4-ol
FL
osmanthus flower absolute
FL/FR
peru balsam
FL
vetiveryl acetate
FL/FR
anisic
anisic
para-
anisyl phenyl acetate
FL/FR
balsamic
siam
benzoin resin
FL/FR
siam
benzoin resinoid
FL/FR
berry
heliotropyl acetone
FL/FR
raspberry ketone methyl ether
FL/FR
citrus
3-
mercaptoheptyl acetate
FL
coffee
methyl furfuryl disulfide
FL/FR
creamy
veratraldehyde
FL/FR
estery
octyl propionate
FL/FR
ethereal
iso
propenyl acetate
FL/FR
floral
alpha-
ionone
FL/FR
beta-
irone
FL/FR
linalyl isobutyrate
FL/FR
beta-
methyl ionone
FL/FR
alpha-iso
methyl ionone (50% min.)
FL/FR
alpha-iso
methyl ionone (70% min.)
FL/FR
alpha-iso
methyl ionone (80% min.)
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
orris rhizome concrete butter (iris pallida)
FL/FR
orris rhizome oil (iris germanica)
FL/FR
orris rhizome resinoid (iris pallida)
FL/FR
phytol
FL/FR
tropical ionone
FL/FR
fruity
benzaldehyde
FL/FR
benzyl isobutyrate
FL/FR
3-
benzyl-4-heptanone
FL/FR
boronia absolute
FL/FR
butyl hexanoate
FL/FR
(E)-beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
alpha-
damascone
FL/FR
ethyl 3-oxohexanoate
FL
ethyl methyl-para-tolyl glycidate
FL/FR
furfuryl isovalerate
FL
heliotropyl isobutyrate
FL/FR
lilac pentanol
FL/FR
linalyl cinnamate
FL/FR
linalyl octanoate
FL/FR
methyl 2-methyl valerate
FL/FR
nerolin fragarol
FL/FR
iso
propyl formate
FL/FR
propyl formate
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
styralyl butyrate
FL/FR
vanilla carboxylate
FL/FR
green
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
neryl butyrate
FL/FR
jammy
maltyl isobutyrate
FL/FR
medicinal
2,6-
dimethoxyphenol
FL/FR
minty
thiogeraniol
FL/FR
oily
3-
nonen-2-one
FL/FR
tetrahydrofurfuryl propionate
FL
phenolic
guaiacyl phenyl acetate
FL/FR
soapy
ambrettolide
FL/FR
sour
2-
methyl-2-pentenoic acid
FL/FR
spicy
nutmeg oil
FL/FR
sulfurous
buchu mercaptan
FL/FR
mango thiol
FL/FR
sweet
orris rhizome absolute (iris germanica)
FL/FR
orris rhizome absolute (iris pallida)
FL/FR
waxy
iso
amyl butyrate
FL/FR
woody
ambrette seed absolute
FL/FR
beta-
ionone
FL/FR
alpha-
irone
FL/FR
juniper berry oleoresin
FL/FR
methyl ionyl acetate
FL/FR
santalyl acetate
FL/FR
 
Potential Uses:
FRberry
FRcherry
FLnut
FRpowder
FRraspberry
FRspice
FRvetiver
FRviolet
FRwoody
 
Occurrence (nature, food, other):note
 champaca concrete @ 0.10%
Data GC Search Trop Picture
 raspberry red raspberry fruit
Search Trop Picture
 
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
 
 
Notes:
Used as a food additive [EAFUS] Present in grape and raspberry. Flavouring ingredient
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy