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

beta-ionyl acetate
3-buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate

Sponsors

Name:4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-yl acetate
CAS Number: 22030-19-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:244-736-2
CoE Number:10702
XlogP3:3.50 (est)
Molecular Weight:236.35468000
Formula:C15 H24 O2
NMR Predictor:Predict (works with chrome or firefox)
Also(can) Contains:acetic acid 2.00% to 5.00%
 beta-ionol 1.00% to 2.00%
EFSA/JECFA Comments:
At least 92%; secondary components 2-5% acetic acid and 1-2% beta-ionol. (EFSA) Acc. to JECFA: Min. assay value is ”92 %” and secondary components ”2-3 % acetic acid; 1-2 % beta-ionol”. Racemate, the double bond is mainly E-isomer: E/Z ratio about 50-70%/30-50%. (EFFA, 2014).
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:1409 beta-ionyl acetate
FLAVIS Number:09.305 (Old)
DG SANTE Food Flavourings:09.305 beta-ionyl acetate
FEMA Number:3844 beta-ionyl acetate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: BETA-IONYL ACETATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 92.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.93400 to 0.94400 @ 25.00 °C.
Pounds per Gallon - (est).: 7.772 to 7.855
Refractive Index:1.47500 to 1.48200 @ 20.00 °C.
Boiling Point: 120.00 °C. @ 2.00 mm Hg
Boiling Point: 90.00 °C. @ 4.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.001000 mm/Hg @ 25.00 °C. (est)
Vapor Density:>1 ( Air = 1 )
Flash Point: 210.00 °F. TCC ( 98.89 °C. )
logP (o/w): 4.890 (est)
Soluble in:
 alcohol
 water, 0.4191 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium
Substantivity:24 hour(s) at 100.00 %
sweet berry raspberry violet jammy woody
Odor Description:at 100.00 %. sweet berry raspberry violet jam woody
Luebke, William tgsc, (1995)
Odor sample from: Bedoukian Research, Inc.
sweet woody raspberry floral seedy jammy strawberry
Odor Description:at 1.00 % in ethyl alcohol. Sweet, woody, ionone-type raspberry notes with floral, seedy and jammy strawberry nuances
Mosciano, Gerard P&F 25, No. 1, 49, (2000)
Flavor Type: woody
woody floral raspberry berry jammy floral
Taste Description: at 1.00 - 20.00 ppm. Woody, slightly floral ionone raspberry/berry-like character with jammy floral nuances
Mosciano, Gerard P&F 25, No. 1, 49, (2000)
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
beta-IONYL ACETATE ≥92.0%, Kosher
Odor Description:A raspberry note with natural connotations
Can be used to enhance rose complexes due to its berry character.
Taste Description:Strong, fruity, floral
Used in raspberry for seedy notes and for jammy strawberry flavors.
 
Cosmetic Information:
None found
 
Suppliers:
Bedoukian Research
beta-IONYL ACETATE
≥92.0%, Kosher
Odor: A raspberry note with natural connotations
Use: Can be used to enhance rose complexes due to its berry character.
Flavor: Strong, fruity, floral
Used in raspberry for seedy notes and for jammy strawberry flavors.
BOC Sciences
For experimental / research use only.
beta-IONYL ACETATE 92.0%
Parchem
beta-ionyl acetate
Penta International
beta-IONYL ACETATE, Kosher
 
Safety Information:
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for beta-ionyl acetate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 3.30 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 9.00 (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: 18
 average usual ppmaverage maximum ppm
baked goods: 0.150003.00000
beverages(nonalcoholic): 0.050001.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: 0.500005.00000
condiments / relishes: --
confectionery froastings: 0.100002.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.100002.00000
fruit ices: 0.070001.50000
gelatins / puddings: 0.200002.00000
granulated sugar: --
gravies: --
hard candy: 0.250004.00000
imitation dairy: 0.100002.00000
instant coffee / tea: --
jams / jellies: 0.100002.00000
meat products: --
milk products: 0.100002.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 0.120002.50000
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 213: alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.7 of FGE.19
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 73, Revision 3 (FGE.73Rev3): Consideration of alicyclic alcohols, aldehydes, acids and related esters evaluated by JECFA (59th and 63rd meeting) structurally related to primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters evaluated by EFSA in FGE.12Rev4 (2013)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 9, Revision 5 (FGE.09Rev5): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 87, Revision 2 (FGE.87Rev2): Consideration of bicyclic secondary alcohols, ketones and related esters evaluated by JECFA (63rd meeting) structurally related to bicyclic secondary alcohols, ketones and related esters evaluated by EFSA in FGE.47Rev1 (2008)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 213, Revision 2 (FGE.213Rev2): Consideration of genotoxic potential for a,ß-unsaturated alicyclic ketones and precursors from chemical subgroup 2.7 of FGE.19
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 73, Revision 4 (FGE.73Rev4): consideration of alicyclic alcohols, aldehydes, acids and related esters evaluated by JECFA (59th and 63rd meeting) structurally related to primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters evaluated by EFSA in FGE.12Rev5
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):22030-19-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :90720
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-yl acetate
Chemidplus:0022030199
 
References:
 4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-yl acetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:22030-19-9
Pubchem (cid):90720
Pubchem (sid):135048472
 
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):HMDB38027
FooDB:FDB017237
Export Tariff Code:2915.39.9500
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-
ethyl butyric acid
FL/FR
2-
methyl-2-pentenoic acid
FL/FR
alliaceous
methyl furfuryl disulfide
FL/FR
amber
ambrette seed absolute
FL/FR
anisic
para-
anisyl propanal
FR
balsamic
conifer acetate
FR
ethyl cinnamate
FL/FR
fir balsam absolute
FR
methyl (E)-cinnamate
FL/FR
methyl cinnamate
FL/FR
berry
methyl beta-ionyl acetate
FR
raspberry ketone
FL/FR
raspberry ketone acetate
FL/FR
raspberry ketone methyl ether
FL/FR
camphoreous
alpha-
campholenic alcohol
FL/FR
caramellic
ethyl cyclopentenolone
FL/FR
ethyl maltol
FL/FR
maltol
FL/FR
maltyl isobutyrate
FL/FR
maltyl propionate
FL/FR
strawberry furanone
FL/FR
earthy
3-
octen-2-one
FL/FR
ethereal
propyl formate
FL/FR
floral
bois de rose oil peru
FL/FR
boronia absolute
FL/FR
cyclohexyl ethyl acetate
FL/FR
beta-
damascenone
FL/FR
alpha-
damascone
FL/FR
dihydro-alpha-ionone
FL/FR
dimethyl anthranilate
FL/FR
ethyl ortho-anisate
FL/FR
heliotropyl acetate
FL/FR
heliotropyl acetone
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
hyacinth ether
FR
(E)-beta-
ionone
FL/FR
alpha-
ionone
FL/FR
beta-
ionone
FL/FR
linalyl propionate
FL/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
methyl ionyl acetate
FL/FR
mimosa absolute
FL/FR
mimosa absolute france
FL/FR
mimosa absolute india
FL/FR
nerolidol
FL/FR
nerolin fragarol
FL/FR
beta-
ocimene
FL/FR
(Z)-beta-
ocimene
FL/FR
bitter
orangeflower absolute morocco
FL/FR
orris rhizome absolute (iris germanica)
FL/FR
orris rhizome absolute (iris pallida)
FL/FR
orris rhizome resinoid (iris pallida)
FL/FR
petitgrain bigarade oil
FL/FR
phenethyl butyrate
FL/FR
phenethyl pivalate
FL/FR
rose carboxylate
FR
tetrahydroionyl acetate
FR
fruity
acetyl methyl anthranilate
FL/FR
allyl benzoate
FR
iso
amyl 2-methyl butyrate
FL/FR
iso
amyl isovalerate
FL/FR
artemisia pallens herb oil
FL/FR
benzyl butyrate
FL/FR
3-
benzyl-4-heptanone
FL/FR
berry hexanoate
FR
berry pentadienoate
FL/FR
bisabolene
FL/FR
butyl anthranilate
FL/FR
iso
butyl anthranilate
FL/FR
iso
butyl butyrate
FL/FR
butyl hexanoate
FL/FR
iso
butyl isovalerate
FL/FR
butyl valerate
FL/FR
iso
butyl-3-(methyl thio) butyrate
FL/FR
davana oil CO2 extract
FL/FR
ethyl 2-hydroxy-3-methyl valerate
FL/FR
ethyl levulinate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
ethyl para-methyl-beta-phenyl glycidate
FR
ethyl valerate
FL/FR
filbert hexenone
FL/FR
fruity ketal
FL/FR
geranyl butyrate
FL/FR
geranyl isovalerate
FL/FR
heliotropyl isobutyrate
FL/FR
hexyl isovalerate
FL/FR
beta-
ionone epoxide
FL/FR
methyl 2-methyl valerate
FL/FR
methyl beta-ionol
FR
methyl heptanoate
FL/FR
methyl propionate
FL/FR
2-
methyl-2-pentenal
FL/FR
(E)-2-
methyl-2-pentenoic acid
FL/FR
neryl isobutyrate
FL/FR
3-
nonen-2-one
FL/FR
octyl propionate
FL/FR
osmanthus flower absolute
FL/FR
perillyl acetate
FL/FR
3-
phenyl propyl isovalerate
FL/FR
phenyl propyl valerate
FL/FR
iso
propenyl acetate
FL/FR
propyl acetate
FL/FR
propyl heptanoate
FL/FR
iso
propyl hexanoate
FL/FR
propyl isobutyrate
FL/FR
prune glycidate
FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
strawberry glycidate 2
FL/FR
styralyl butyrate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
tropical trithiane
FL/FR
vanilla carboxylate
FL/FR
green
acetaldehyde methyl hexyl acetal
FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl octanoate
FL/FR
thiogeraniol
FL/FR
herbal
artemisyl ketone
FL/FR
(S)-
campholene acetate
FL/FR
iso
dihydrolavandulal
FL/FR
herbal undecanone
FR
jammy
ethyl 2-methyl-2-pentenoate
FR
mentholic
menthyl acetate racemic
FL/FR
nutty
2-
methyl-3-pentenoic acid
FL/FR
phenolic
ortho-
cresyl isobutyrate
FL/FR
powdery
(E)-alpha-
methyl ionone (44-50%)
FL/FR
(E)-alpha-
methyl ionone (50-60%)
FL/FR
(E)-alpha-
methyl ionone (74-80%)
FL/FR
soapy
ambrettolide
FL/FR
sulfurous
blackberry thiophenone
FL/FR
buchu mercaptan
FL/FR
mango thiol
FL/FR
2-
phenethyl isothiocyanate
FL/FR
terpenic
pine needle oil dwarf
FL/FR
tobacco
veltonal (Bedoukian)
FR
tropical
hotrienol
FL/FR
waxy
(E)-2-
octen-1-yl butyrate
FL/FR
woody
bornyl valerate
FL/FR
cycloionone
FL/FR
diethyl dimethyl-2-cyclohexenone
FR
dihydro-beta-ionone
FL/FR
violet propanol
FR
For Flavor
No flavor group found for these
allyl tiglate
FL
artemisyl ketone
FL/FR
blackberry thiophenone
FL/FR
iso
butyl-3-(methyl thio) butyrate
FL/FR
alpha-
campholenic alcohol
FL/FR
ortho-
cresyl isobutyrate
FL/FR
ethyl 2-hydroxy-3-methyl valerate
FL/FR
ethyl ortho-anisate
FL/FR
beta-
ionone epoxide
FL/FR
menthyl acetate racemic
FL/FR
methyl (E)-cinnamate
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-
methyl-2-pentenoic acid
FL/FR
2-
methyl-3-pentenoic acid
FL/FR
(E)-2-
octen-1-yl butyrate
FL/FR
(E)-2-
octen-4-ol
FL
osmanthus flower absolute
FL/FR
2-
phenethyl isothiocyanate
FL/FR
phenethyl pivalate
FL/FR
3-
phenyl propyl isovalerate
FL/FR
phenyl propyl valerate
FL/FR
iso
propyl hexanoate
FL/FR
(E)-
spicy acrolein
FL
acidic
acidic
2-
ethyl butyric acid
FL/FR
balsamic
ethyl cinnamate
FL/FR
berry
dihydro-alpha-ionone
FL/FR
heliotropyl acetone
FL/FR
perillyl acetate
FL/FR
raspberry ketone
FL/FR
raspberry ketone acetate
FL/FR
raspberry ketone methyl ether
FL/FR
caramellic
ethyl maltol
FL/FR
maltol
FL/FR
maltyl propionate
FL/FR
strawberry furanone
FL/FR
citrus
bisabolene
FL/FR
petitgrain bigarade oil
FL/FR
coffee
methyl furfuryl disulfide
FL/FR
creamy
acetoin butyrate
FL
3-
octen-2-one
FL/FR
estery
octyl propionate
FL/FR
propyl acetate
FL/FR
ethereal
iso
propenyl acetate
FL/FR
floral
bois de rose oil peru
FL/FR
heliotropyl acetate
FL/FR
hotrienol
FL/FR
alpha-
ionone
FL/FR
alpha-iso
methyl ionone (50% min.)
FL/FR
alpha-iso
methyl ionone (70% min.)
FL/FR
(E)-alpha-
methyl ionone (74-80%)
FL/FR
alpha-iso
methyl ionone (80% min.)
FL/FR
bitter
orangeflower absolute morocco
FL/FR
orris rhizome resinoid (iris pallida)
FL/FR
fruity
acetyl methyl anthranilate
FL/FR
iso
amyl 2-methyl butyrate
FL/FR
artemisia pallens herb oil
FL/FR
benzyl butyrate
FL/FR
3-
benzyl-4-heptanone
FL/FR
berry pentadienoate
FL/FR
boronia absolute
FL/FR
butyl anthranilate
FL/FR
iso
butyl anthranilate
FL/FR
iso
butyl butyrate
FL/FR
butyl hexanoate
FL/FR
butyl valerate
FL/FR
alpha-
damascone
FL/FR
davana oil CO2 extract
FL/FR
dimethyl anthranilate
FL/FR
ethyl 3-oxohexanoate
FL
ethyl levulinate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
ethyl valerate
FL/FR
filbert hexenone
FL/FR
fruity ketal
FL/FR
furfuryl isovalerate
FL
geranyl butyrate
FL/FR
heliotropyl isobutyrate
FL/FR
methyl 2-methyl valerate
FL/FR
methyl heptanoate
FL/FR
methyl propionate
FL/FR
2-
methyl-2-pentenal
FL/FR
nerolin fragarol
FL/FR
neryl isobutyrate
FL/FR
phenethyl butyrate
FL/FR
propyl formate
FL/FR
propyl isobutyrate
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
strawberry glycidate 2
FL/FR
styralyl butyrate
FL/FR
tamarindus indica extract
FL
4-(para-
tolyl)-2-butanone
FL/FR
tropical trithiane
FL/FR
vanilla carboxylate
FL/FR
green
iso
amyl isovalerate
FL/FR
iso
butyl isovalerate
FL/FR
cyclohexyl ethyl acetate
FL/FR
geranyl isovalerate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
hexyl isobutyrate
FL/FR
hexyl isovalerate
FL/FR
hexyl octanoate
FL/FR
nerolidol
FL/FR
beta-
ocimene
FL/FR
(Z)-beta-
ocimene
FL/FR
herbal
iso
dihydrolavandulal
FL/FR
linalyl propionate
FL/FR
marrubium vulgare extract
FL
jammy
(S)-
campholene acetate
FL/FR
ethyl cyclopentenolone
FL/FR
maltyl isobutyrate
FL/FR
minty
thiogeraniol
FL/FR
oily
3-
nonen-2-one
FL/FR
pine
pine needle oil dwarf
FL/FR
soapy
ambrettolide
FL/FR
sour
2-
methyl-2-pentenoic acid
FL/FR
spicy
methyl cinnamate
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
tropical
guava distillates
FL
waxy
mimosa absolute
FL/FR
mimosa absolute france
FL/FR
mimosa absolute india
FL/FR
propyl heptanoate
FL/FR
woody
ambrette seed absolute
FL/FR
bornyl valerate
FL/FR
cycloionone
FL/FR
beta-
damascenone
FL/FR
dihydro-beta-ionone
FL/FR
(E)-beta-
ionone
FL/FR
beta-
ionone
FL/FR
methyl ionyl acetate
FL/FR
 
Potential Uses:
FRberry
FRcherry
 fruit tropical fruit
 jam
FRplum
FRraisin
FRraspberry
 strawberry jam
FLtea
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
3-buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate
4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-ol acetate
4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-yl acetate
4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-yl acetate
 
 
Notes:
Flavouring agent
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