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

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

Sponsors

Name:4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-yl acetate
CAS Number: 52210-18-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:257-738-3
Beilstein Number:3134520
XlogP3-AA:3.60 (est)
Molecular Weight:236.35468000
Formula:C15 H24 O2
NMR Predictor:Predict (works with chrome or firefox)
Category:fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
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Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 90.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.93200 to 0.93700 @ 25.00 °C.
Pounds per Gallon - (est).: 7.755 to 7.797
Refractive Index:1.46900 to 1.47500 @ 20.00 °C.
Boiling Point: 110.00 °C. @ 2.00 mm Hg
Boiling Point: 80.00 °C. @ 4.00 mm Hg
Vapor Pressure:0.002000 mm/Hg @ 25.00 °C. (est)
Vapor Density:>1 ( Air = 1 )
Flash Point: 210.00 °F. TCC ( 98.89 °C. )
logP (o/w): 5.405 (est)
Soluble in:
 alcohol
 water, 0.5409 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium
Substantivity:24 hour(s) at 100.00 %
sweet woody floral violet berry
Odor Description:at 100.00 %. sweet woody floral violet berry
Luebke, William tgsc, (1995)
Odor sample from: Bedoukian Research, Inc.
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
alpha-IONYL ACETATE ≥91.0%, Kosher
Odor Description:floral, vetiver violet
For vetiver violet applications.
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Taytonn
alpha-Ionyl Acetate
Odor: Floral, Vetivert
 
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:
oral-rat LDLo 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 363, 1988.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 363, 1988.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
Recommendation for alpha-ionyl acetate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Recommendation for alpha-ionyl acetate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):52210-18-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :103607
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-yl acetate
Chemidplus:0052210181
 
References:
 4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-yl acetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:52210-18-1
Pubchem (cid):103607
Pubchem (sid):135060242
 
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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2915.39.9500
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
pseudo-iso
methyl ionone
CS
pseudo
methyl ionone
CS
(E)-beta-
methyl ionone
FL/FR
acidic
acidic
cyclohexyl acetic acid
FL/FR
alliaceous
dibutyl sulfide
FL/FR
amber
acetoxymethyl isolongifolene
FR
amber spirolene
FR
formoxymethyl isolongifolene
FR
animal
iso
butyl quinoline
FR
methyl (E)-2-octenoate
FL/FR
anisic
ortho-
acetanisole
FL/FR
ambrette seed oil
FL/FR
ortho-
anisaldehyde
FL/FR
para-
anisaldehyde
FL/FR
balsamic
benzophenone
FR
brachyleana hutchinsii wood oil
FR
iso
butyl benzoate
FL/FR
cinnamyl alcohol
FL/FR
ethyl cinnamate
FL/FR
guaiacyl phenyl acetate
FL/FR
peru balsam oil
FL/FR
berry
sec-
butyl ethyl ether
FL/FR
chocolate
cocoa pentenal
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
citrus woody floral fragrance
FR
grapefruit indene
FR
grapefruit nitrile
FR
grapefruit pentanol
FR
myrcenyl acetate
FL/FR
coumarinic
phthalide
FL/FR
creamy
para-
vanillic acid
FL/FR
earthy
(Z)-
linalool oxide (furanoid)
FL/FR
patchouli cyclohexanol
FR
floral
para-
anisaldehyde / methyl anthranilate schiff's base
FR
anisyl propanal / methyl anthranilate schiff's base
FR
boronia absolute
FL/FR
boronia butenal
FR
4-tert-
butyl cyclohexane carboxaldehyde
FR
cassie absolute
FL/FR
cassie concrete
FR
delta-
damascone
FL/FR
dihydro-alpha-ionone
FL/FR
2',4'-
dimethyl acetophenone
FL/FR
dimethyl alpha-ionone
FR
dimethyl anthranilate
FL/FR
2,4-
dimethyl cyclohexyl methyl acetate
FR
4-
dimethyl ionone
FR
elder flower wood specialty
FR
geranyl phenyl acetate
FL/FR
heliotropin
FL/FR
ho wood oil
FR
beta-
ionol
FL/FR
alpha-
ionol
FL/FR
(E)-beta-
ionone
FL/FR
beta-
ionone
FL/FR
alpha-
ionone
FL/FR
beta-
ionyl acetate
FL/FR
beta-
irone
FL/FR
alpha-
irone
FL/FR
lavandula angustifolia flower oil
FL/FR
lavender oil france
FL/FR
lavender oil greece
FL/FR
linaloe wood oil mexico
FL/FR
laevo-
linalool
FL/FR
linalool oxide
FL/FR
melaleuca ericifolia leaf oil
FR
ortho-
methyl acetophenone
FL/FR
beta-iso
methyl ionone
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
2-
methyl naphthalene
FL/FR
mimosa concrete france
FL/FR
mimosa tenuiflora leaf extract
FL/FR
muguet carbinol
FL/FR
bitter
orangeflower concrete
FR
orris butenone
FR
orris pyridine 25% IPM
FR
orris rhizome absolute (iris germanica)
FL/FR
orris rhizome absolute (iris pallida)
FL/FR
orris rhizome absolute replacer
FR
orris rhizome oil (iris germanica)
FL/FR
petitgrain cedrat oil
FL/FR
petitgrain oil terpenes
FR
phenethyl hexanoate
FL/FR
phenyl glycol diacetate
FR
iso
propyl phenyl acetate
FL/FR
rhodinol
FL/FR
rhodinyl phenyl acetate
FL/FR
rose concrete (rosa centifolia)
FR
styralyl formate
FL/FR
tetrahydroionol
FR
tobacco flower absolute
FR
(E)-2,5,9-
trimethyl-4,9-decadien-1-al
FR
vetiver pentanone
FR
violet methyl carbonate
FR
fruity
acetyl methyl anthranilate
FL/FR
iso
butyl furyl propionate
FL/FR
cherry oxyacetate
FL/FR
1,4-
diisopropyl-6,8-dioxabicyclo(3.2.1)octane
FR
ethyl methyl-para-tolyl glycidate
FL/FR
linalool oxide acetates
FL/FR
octyl propionate
FL/FR
peach pivalate
FR
tolualdehydes (mixed o,m,p)
FL/FR
tropical ionone
FL/FR
green
bergoxane
FR
iso
green methanoindene
FR
1-
heptanol
FL/FR
(Z)-3-
hexen-1-yl (Z)-3-hexenoate
FL/FR
(Z)-3-
hexen-1-yl methyl carbonate
FL/FR
hexen-1-yl oxypropane nitrile
FR
(E)-2-
hexen-1-yl salicylate
FR
(Z)-
leaf acetal
FL/FR
melon nonenoate
FL/FR
methyl heptine carbonate
FL/FR
para-
methyl hydratropaldehyde
FL/FR
methyl octine carbonate
FL/FR
(E,Z)-2,6-
nonadien-1-ol
FL/FR
3,6-
nonadien-1-ol
FL/FR
(E,Z)-2,6-
nonadienal
FL/FR
(E)-2-
nonen-1-ol
FL/FR
2-
nonyn-1-al dimethyl acetal
FR
octanal dimethyl acetal
FL/FR
phenoxyethyl isobutyrate
FL/FR
violet decenol
FR
violet dienyne
FR
violet leaf absolute
FL/FR
violet nitrile
FR
herbal
calendula officinalis flower oil CO2 extract
FR
freesia heptanol
FL/FR
immortelle flower oil
FL/FR
marigold pot flower oil
FL/FR
mossy
moss specialty
FR
musk
amyris specialty
FR
cyclohexadecanone
FR
ethylene brassylate
FL/FR
exaltone (Firmenich)
FR
dextro,laevo-
muscone
FL/FR
musk amberol
FR
musk indane
FR
musk tetralin
FR
omega-
pentadecalactone
FL/FR
musty
cocoa butenal
FL/FR
naphthyl
para-
methyl anisole
FL/FR
beta-
naphthyl ethyl ether
FL/FR
nutty
2,3,5-
trimethyl pyrazine
FL/FR
orris
beta-
methyl ionone
FL/FR
powdery
para-
anisyl acetate
FL/FR
para-
anisyl alcohol
FL/FR
dimethyl ionone
FR
alpha-
methyl ionone
FL/FR
(E)-alpha-
methyl ionone (44-50%)
FL/FR
(E)-alpha-
methyl ionone (50-60%)
FL/FR
(E)-alpha-
methyl ionone (74-80%)
FL/FR
rummy
rum extract
FL/FR
spicy
iso
eugenol
FL/FR
white
sassafras oil
FL/FR
spicy carbonate
FR
terpenic
alpha-
terpineol
FL/FR
tobacco
methyl benzoxole
FL/FR
veltonal (Bedoukian)
FR
tonka
mint lactone
FL/FR
vanilla
heliotropyl alcohol
FL/FR
vanillyl acetate
FL/FR
vanillylidene acetone
FL/FR
waxy
ethyl myristate
FL/FR
orris rhizome oil CO2 extract
FL/FR
woody
amber formate
FR
amyris acetate
FR
anthocephalus cadamba oil
FR
bois de rose leaf oil brazil
FL/FR
iso
butyl ionone
FR
cabreuva wood oil
FR
cedar cyclododecatriene
FR
cedryl formate
FR
chloranthus spicatus absolute
FR
cyperus root oil (cyperus rotundus)
FR
2-
decalinyl acetate
FR
diethyl dimethyl-2-cyclohexenone
FR
dihydro-beta-ionol
FL/FR
guaiacwood oil
FL/FR
herbal norbornane
FR
homalomena rubescens root oil
FR
methyl cedryl ketone
FL/FR
alpha-iso
methyl ionol
FR
3-
methyl pentyl angelate
FR
iso
methyl tetrahydroionyl acetate
FR
patchouli ethanone
FR
sandal octanol
FR
(+)-alpha-
santalyl acetate
FL/FR
santalyl acetate
FL/FR
timber propanol
FR
vetiveryl acetate
FL/FR
violet propanol
FR
(Z)-
woody amylene
FR
woody epoxide
FR
zdravetz absolute
FR
zdravetz oil
FL/FR
For Flavor
No flavor group found for these
ambrette seed oil
FL/FR
sec-
butyl ethyl ether
FL/FR
dihydro-beta-ionol
FL/FR
2',4'-
dimethyl acetophenone
FL/FR
heliotropyl alcohol
FL/FR
linaloe wood oil mexico
FL/FR
(Z)-
linalool oxide (furanoid)
FL/FR
linalool oxide acetates
FL/FR
marigold pot flower oil
FL/FR
(E)-beta-
methyl ionone
FL/FR
beta-iso
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
(+)-alpha-
santalyl acetate
FL/FR
white
sassafras oil
FL/FR
styralyl formate
FL/FR
vetiveryl acetate
FL/FR
zdravetz oil
FL/FR
iso
butyl furyl propionate
FL/FR
anisic
anisic
ortho-
anisaldehyde
FL/FR
ortho-
methyl acetophenone
FL/FR
apple
(E,Z)-2,6-
nonadien-1-ol
FL/FR
balsamic
ethyl cinnamate
FL/FR
peru balsam oil
FL/FR
vanillylidene acetone
FL/FR
berry
dihydro-alpha-ionone
FL/FR
cherry
heliotropin
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
freesia heptanol
FL/FR
laevo-
linalool
FL/FR
myrcenyl acetate
FL/FR
petitgrain cedrat oil
FL/FR
alpha-
terpineol
FL/FR
coconut
6-
methyl coumarin
FL
coumarinic
phthalide
FL/FR
creamy
para-
anisaldehyde
FL/FR
mint lactone
FL/FR
para-
vanillic acid
FL/FR
cucumber
2-
ethyl octine carbonate
FL
estery
octyl propionate
FL/FR
fatty
(E,E)-2,4-
nonadienal
FL
floral
bois de rose leaf oil brazil
FL/FR
cocoa pentenal
FL/FR
geranyl phenyl acetate
FL/FR
beta-
ionol
FL/FR
alpha-
ionone
FL/FR
pseudo
ionone
FL
beta-
irone
FL/FR
beta-
methyl 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
alpha-iso
methyl ionone (90% min.)
FL/FR
mimosa concrete france
FL/FR
mimosa tenuiflora leaf extract
FL/FR
muguet carbinol
FL/FR
orris rhizome oil (iris germanica)
FL/FR
rhodinol
FL/FR
tropical ionone
FL/FR
fruity
acetyl methyl anthranilate
FL/FR
para-
anisyl acetate
FL/FR
para-
anisyl alcohol
FL/FR
boronia absolute
FL/FR
iso
butyl benzoate
FL/FR
cherry oxyacetate
FL/FR
dimethyl anthranilate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
methyl (E)-2-octenoate
FL/FR
alpha-
methyl ionone
FL/FR
tolualdehydes (mixed o,m,p)
FL/FR
green
cinnamyl alcohol
FL/FR
cocoa butenal
FL/FR
dibutyl sulfide
FL/FR
(Z)-3-
hexen-1-yl (Z)-3-hexenoate
FL/FR
(Z)-3-
hexen-1-yl methyl carbonate
FL/FR
(Z)-
leaf acetal
FL/FR
linalool oxide
FL/FR
melon nonenoate
FL/FR
methyl 2-undecynoate
FL
methyl heptine carbonate
FL/FR
para-
methyl hydratropaldehyde
FL/FR
methyl octine carbonate
FL/FR
3,6-
nonadien-1-ol
FL/FR
(E,Z)-2,6-
nonadienal
FL/FR
(E)-2-
nonen-1-ol
FL/FR
octanal dimethyl acetal
FL/FR
phenoxyethyl isobutyrate
FL/FR
violet leaf absolute
FL/FR
herbal
immortelle flower oil
FL/FR
lavandula angustifolia flower oil
FL/FR
lavender oil france
FL/FR
lavender oil greece
FL/FR
honey
iso
propyl phenyl acetate
FL/FR
meaty
ortho-
thioguaiacol
FL
musk
ethylene brassylate
FL/FR
dextro,laevo-
muscone
FL/FR
musty
2,3,5-
trimethyl pyrazine
FL/FR
naphthyl
para-
methyl anisole
FL/FR
nutty
methyl benzoxole
FL/FR
oily
2-
methyl naphthalene
FL/FR
tetrahydrofurfuryl propionate
FL
phenolic
guaiacyl phenyl acetate
FL/FR
powdery
ortho-
acetanisole
FL/FR
beta-
naphthyl ethyl ether
FL/FR
powdery ketone
FL
rummy
rum extract
FL/FR
solvent
1-
heptanol
FL/FR
spicy
cassie absolute
FL/FR
iso
eugenol
FL/FR
sweet
cyclohexyl acetic acid
FL/FR
orris rhizome absolute (iris germanica)
FL/FR
orris rhizome absolute (iris pallida)
FL/FR
vanilla
omega-
pentadecalactone
FL/FR
vanillyl acetate
FL/FR
waxy
ethyl myristate
FL/FR
phenethyl hexanoate
FL/FR
rhodinyl phenyl acetate
FL/FR
woody
delta-
damascone
FL/FR
guaiacwood oil
FL/FR
alpha-
ionol
FL/FR
(E)-beta-
ionone
FL/FR
beta-
ionone
FL/FR
beta-
ionyl acetate
FL/FR
alpha-
irone
FL/FR
methyl cedryl ketone
FL/FR
methyl ionyl acetate
FL/FR
orris rhizome oil CO2 extract
FL/FR
santalyl acetate
FL/FR
 
Potential Uses:
FRchypre
FRfloral
FRmoss
FRoriental
FRvetiver
FRviolet
FRwoody
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
3-buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, acetate
a-ionyl acetate
4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-yl acetate
3-(2,6,6-trimethyl-2-cyclohexen-1-yl) propen-1-yl acetate
4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol acetate
4-(2,6,6-trimethyl-2-cyclohexenyl)-2-butenyl acetate
 
 
Notes:
None found
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