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

tetrahydroionyl acetate
cyclohexanepropanol, a,2,2,6-tetramethyl-, acetate

Sponsors

Name:4-(2,2,6-trimethylcyclohexyl)butan-2-yl acetate
CAS Number: 68555-59-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:271-435-3
Nikkaji Web:J309.196A
XlogP3-AA:4.90 (est)
Molecular Weight:240.38656000
Formula:C15 H28 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
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
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 96.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.92000 to 0.93000 @ 25.00 °C.
Pounds per Gallon - (est).: 7.655 to 7.739
Refractive Index:1.45300 to 1.46300 @ 20.00 °C.
Boiling Point: 85.00 °C. @ 2.00 mm Hg
Boiling Point: 268.00 to 269.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.008000 mm/Hg @ 25.00 °C. (est)
Flash Point: 230.00 °F. TCC ( 110.00 °C. )
logP (o/w): 5.582 (est)
Soluble in:
 alcohol
 water, 0.2849 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium
fruity floral berry
Odor Description:at 100.00 %. fruity floral berry
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
TETRAHYDROIONYL ACETATE ≥90.0%, Kosher
Odor Description:A fruity, floral berry like odor
Used for an intense floral berry note.
 
Cosmetic Information:
None found
 
Suppliers:
Bedoukian Research
TETRAHYDROIONYL ACETATE
≥90.0%, Kosher
Odor: A fruity, floral berry like odor
Use: Used for an intense floral berry note.
 
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: fragrance agents
Recommendation for tetrahydroionyl acetate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Recommendation for tetrahydroionyl acetate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):68555-59-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :109468
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
4-(2,2,6-trimethylcyclohexyl)butan-2-yl acetate
Chemidplus:0068555599
 
References:
 4-(2,2,6-trimethylcyclohexyl)butan-2-yl acetate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):109468
Pubchem (sid):135064766
 
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
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-one
FL/FR
(E)-5-
nonen-2-one
FL/FR
iso
prenyl acetate
FL/FR
acidic
acidic
2-
ethyl butyric acid
FL/FR
2-
methyl-2-pentenoic acid
FL/FR
aldehydic
3-
methyl-4-hexyl oxybutyraldehyde
FR
alliaceous
methyl furfuryl disulfide
FL/FR
amber
ambrette seed absolute
FL/FR
anisic
para-
anisyl propanal
FR
balsamic
benzyl cinnamate
FL/FR
cinnamyl formate
FL/FR
conifer acetate
FR
ethyl cinnamate
FL/FR
fir balsam absolute
FR
methyl (E)-cinnamate
FL/FR
methyl cinnamate
FL/FR
berry
sec-
butyl ethyl ether
FL/FR
raspberry ketone
FL/FR
raspberry ketone acetate
FL/FR
raspberry ketone methyl ether
FL/FR
camphoreous
alpha-
campholenic alcohol
FL/FR
caramellic
ethyl maltol
FL/FR
maltyl isobutyrate
FL/FR
maltyl propionate
FL/FR
strawberry furanone
FL/FR
citrus
(R)-
citronellyl nitrile
FR
citronitrile (Symrise)
FR
2-
heptanol
FL/FR
earthy
3-
octen-2-one
FL/FR
ethereal
propyl formate
FL/FR
fatty
butyl undecylenate
FL/FR
4-
ethyl octanoic acid
FL/FR
fermented
methyl decanoate
FL/FR
valeraldehyde
FL/FR
floral
acetal 318
FR
iso
amyl angelate
FL/FR
alpha-
amyl cinnamaldehyde
FL/FR
benzyl acetate
FL/FR
benzyl acetoacetate
FL/FR
benzyl formate
FL/FR
benzyl isobutyrate
FL/FR
blue lagoon fragrance
FR
(S)-
citronellyl acetate
FL/FR
citronellyl butyrate
FL/FR
citronellyl hexanoate
FL/FR
citronellyl propionate
FL/FR
(E)-
citronellyl tiglate
FL/FR
3-
cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
FR
cyclohexyl ethyl acetate
FL/FR
cymbopogon validus leaf oil
FR
beta-
damascenone
FL/FR
alpha-
damascone
FL/FR
dihydro-alpha-ionone
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
3,6-
dimethyl-3-octyl acetate
FR
ethyl anthranilate
FL/FR
ethyl ethyl anthranilate
FL/FR
ethyl ortho-anisate
FL/FR
eucalyptus macarthurii oil
FR
geraniol
FL/FR
geranyl isobutyrate
FL/FR
heliotropyl acetate
FL/FR
heliotropyl acetone
FL/FR
hibiscus fragrance
FR
hibiscus sabdariffa flower extract
FL/FR
hyacinth ether
FR
beta-
ionone
FL/FR
ionone mixed isomers
FL/FR
beta-
ionyl acetate
FL/FR
jasmin cyclopentanone
FR
iso
jasmone
FL/FR
linalyl butyrate
FL/FR
magnolia specialty
FR
menthadienyl formate
FR
ortho-
methoxybenzyl ethyl ether
FR
methoxymelonal
FL/FR
1-(2-
methyl allyl oxy)-3-methoxy-3-methyl-1-butane
FR
para-
methyl benzyl acetate
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
methyl ionyl acetate
FL/FR
(±)-3-
methyl-gamma-decalactone
FL/FR
beta-
naphthyl anthranilate
FL/FR
pink
nelumbo nucifera flower absolute
FR
white
nelumbo nucifera flower absolute
FR
white
nelumbo nucifera flower concrete
FR
nerolin fragarol
FL/FR
3-
nonanon-1-yl acetate
FL/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
osmanthus absolute replacer
FR
osmanthus concrete
FL/FR
petitgrain lemon oil
FL/FR
petitgrain mandarin oil
FL/FR
phenethyl butyrate
FL/FR
phenethyl isobutyrate
FL/FR
phenethyl isovalerate
FL/FR
phenethyl pivalate
FL/FR
1-
phenyl propyl butyrate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
iso
propyl benzoate
FL/FR
rhodinyl acetate substitutes
FL/FR
rhodinyl butyrate
FL/FR
rose carboxylate
FR
rose undecene
FR
souroubea specialty
FR
star fruit oil cuba
FL/FR
styralyl propionate
FL/FR
terpinyl valerate
FL/FR
fruity
acetyl methyl anthranilate
FL/FR
allyl benzoate
FR
iso
amyl 2-methyl butyrate
FL/FR
apricot essence
FL/FR
artemisia pallens herb oil
FL/FR
benzaldehyde / methyl anthranilate schiff's base
FR
benzyl butyrate
FL/FR
benzyl propionate
FL/FR
benzyl valerate
FL/FR
3-
benzyl-4-heptanone
FL/FR
berry hexanoate
FR
berry pentadienoate
FL/FR
bisabolene
FL/FR
butyl 2-naphthyl ether
FL/FR
iso
butyl anthranilate
FL/FR
butyl anthranilate
FL/FR
iso
butyl butyrate
FL/FR
iso
butyl furyl propionate
FL/FR
butyl hexanoate
FL/FR
iso
butyl isovalerate
FL/FR
butyl valerate
FL/FR
iso
butyl-3-(methyl thio) butyrate
FL/FR
citronellyl isobutyrate
FL/FR
(Z)-beta-
damascone
FL/FR
beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
(R)-gamma-
dodecalactone
FL/FR
eriocephalus punctulatus flower oil
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
(E)-
ethyl tiglate
FL/FR
ethyl valerate
FL/FR
filbert hexenone
FL/FR
fruity ketal
FL/FR
geranyl butyrate
FL/FR
geranyl isovalerate
FL/FR
ginsene
FR
heliotropyl isobutyrate
FL/FR
heptyl isobutyrate
FL/FR
hexyl isovalerate
FL/FR
beta-
ionone epoxide
FL/FR
leather propionate
FR
linalool oxide acetates
FL/FR
3-
mercaptohexyl acetate
FL/FR
methyl (Z)-3-hexenoate
FL/FR
methyl 2-methyl valerate
FL/FR
methyl beta-ionol
FR
methyl bicycloheptenyl methyloxirane carboxylate
FR
methyl heptanoate
FL/FR
methyl isobutyrate
FL/FR
methyl propionate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
myrascone
FR
neryl isobutyrate
FL/FR
2-
nonanone propylene glycol acetal
FL/FR
3-
nonen-2-one
FL/FR
alpha-
ocimene
FL/FR
octyl propionate
FL/FR
osmanthus flower absolute
FL/FR
peach nitrile
FR
3-
phenyl propyl isovalerate
FL/FR
phenyl propyl valerate
FL/FR
plum damascone (high alpha)
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
rhubarb pyran
FR
sambucus canadensis fruit absolute
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
strawberry glycidate 2
FL/FR
(R)-
styralyl acetate
FL/FR
styralyl butyrate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
tropical ionone
FL/FR
tropical trithiane
FL/FR
vanilla carboxylate
FL/FR
cis-
woody acetate
FR
green
acetaldehyde methyl hexyl acetal
FR
iso
amyl 3-(2-furan) propionate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
hexoxyacetaldehyde dimethyl acetal
FR
hexyl isobutyrate
FL/FR
hexyl octanoate
FL/FR
magnolia flower oil CO2 extract
FL/FR
1-[(3aS,7aR)-3a,4,7,7a-
tetrahydro-1H-inden-6-yl]ethanone
FR
thiogeraniol
FL/FR
herbal
artemisyl ketone
FL/FR
(S)-
campholene acetate
FL/FR
chamomile isobutyrate
FR
chamomile propionate
FR
chamomile valerate
FR
clary propyl acetate
FR
iso
dihydrolavandulal
FL/FR
geranium cyclohexane
FR
herbal undecanone
FR
methyl cyclogeranate (Firmenich)
FR
tagete oil madagascar
FL/FR
jammy
ethyl 2-methyl-2-pentenoate
FR
medicinal
ortho-
cresyl acetate
FL/FR
mentholic
menthyl acetate racemic
FL/FR
nutty
2-
methyl-3-pentenoic acid
FL/FR
phenolic
ortho-
cresyl isobutyrate
FL/FR
powdery
alpha-
methyl ionone
FL/FR
(E)-alpha-
methyl ionone (74-80%)
FL/FR
soapy
ambrettolide
FL/FR
spicy
para-
anisyl formate
FL/FR
spicy acetoacetate
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
tropical
triflaige A
FR
waxy
dihydrocitronellyl acetate
FL/FR
(E)-
methyl geranate
FL/FR
(E)-2-
octen-1-yl butyrate
FL/FR
orris rhizome oil CO2 extract
FL/FR
phytyl acetate
FL/FR
woody
bornyl valerate
FL/FR
2-
decalinyl acetate
FR
juniper berry oleoresin
FL/FR
melozol acetate
FR
rhubarb oxirane
FR
For Flavor
No flavor group found for these
iso
amyl angelate
FL/FR
artemisyl ketone
FL/FR
benzyl valerate
FL/FR
blackberry thiophenone
FL/FR
butyl 2-naphthyl ether
FL/FR
sec-
butyl ethyl ether
FL/FR
iso
butyl-3-(methyl thio) butyrate
FL/FR
alpha-
campholenic alcohol
FL/FR
ortho-
cresyl acetate
FL/FR
ortho-
cresyl isobutyrate
FL/FR
dihydrocitronellyl acetate
FL/FR
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-one
FL/FR
(R)-gamma-
dodecalactone
FL/FR
ethyl 2-hydroxy-3-methyl valerate
FL/FR
ethyl ethyl anthranilate
FL/FR
ethyl ortho-anisate
FL/FR
beta-
ionone epoxide
FL/FR
ionone mixed isomers
FL/FR
linalool oxide acetates
FL/FR
magnolia flower oil CO2 extract
FL/FR
menthyl acetate racemic
FL/FR
methyl (E)-cinnamate
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
(E)-
methyl geranate
FL/FR
2-
methyl-3-pentenoic acid
FL/FR
(±)-3-
methyl-gamma-decalactone
FL/FR
2-
nonanone propylene glycol acetal
FL/FR
(E)-5-
nonen-2-one
FL/FR
alpha-
ocimene
FL/FR
(E)-2-
octen-1-yl butyrate
FL/FR
osmanthus flower absolute
FL/FR
2-
phenethyl isothiocyanate
FL/FR
phenethyl pivalate
FL/FR
1-
phenyl propyl butyrate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
3-
phenyl propyl isovalerate
FL/FR
phenyl propyl valerate
FL/FR
phytyl acetate
FL/FR
iso
prenyl acetate
FL/FR
iso
propyl benzoate
FL/FR
iso
propyl hexanoate
FL/FR
rhodinyl acetate substitutes
FL/FR
(R)-
styralyl acetate
FL/FR
iso
amyl 3-(2-furan) propionate
FL/FR
benzyl acetoacetate
FL/FR
iso
butyl furyl propionate
FL/FR
beta-
damascone
FL/FR
acidic
acidic
2-
ethyl butyric acid
FL/FR
balsamic
ethyl cinnamate
FL/FR
berry
dihydro-alpha-ionone
FL/FR
heliotropyl acetone
FL/FR
heptyl isobutyrate
FL/FR
hibiscus sabdariffa flower extract
FL/FR
raspberry ketone
FL/FR
raspberry ketone acetate
FL/FR
raspberry ketone methyl ether
FL/FR
caramellic
ethyl maltol
FL/FR
maltyl propionate
FL/FR
strawberry furanone
FL/FR
citrus
bisabolene
FL/FR
petitgrain lemon oil
FL/FR
petitgrain mandarin oil
FL/FR
styralyl propionate
FL/FR
coffee
methyl furfuryl disulfide
FL/FR
creamy
3-
octen-2-one
FL/FR
estery
octyl propionate
FL/FR
propyl acetate
FL/FR
ethereal
methyl isobutyrate
FL/FR
iso
propenyl acetate
FL/FR
fatty
4-
ethyl octanoic acid
FL/FR
methyl decanoate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
floral
(S)-
citronellyl acetate
FL/FR
citronellyl hexanoate
FL/FR
citronellyl propionate
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
geraniol
FL/FR
geranyl isobutyrate
FL/FR
heliotropyl acetate
FL/FR
linalyl butyrate
FL/FR
(E)-alpha-
methyl ionone (74-80%)
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
rhodinyl butyrate
FL/FR
tropical ionone
FL/FR
fruity
acetyl methyl anthranilate
FL/FR
iso
amyl 2-methyl butyrate
FL/FR
apricot essence
FL/FR
artemisia pallens herb oil
FL/FR
benzyl acetate
FL/FR
benzyl butyrate
FL/FR
benzyl formate
FL/FR
benzyl isobutyrate
FL/FR
benzyl propionate
FL/FR
3-
benzyl-4-heptanone
FL/FR
berry pentadienoate
FL/FR
butyl anthranilate
FL/FR
iso
butyl anthranilate
FL/FR
iso
butyl butyrate
FL/FR
butyl hexanoate
FL/FR
butyl valerate
FL/FR
citronellyl butyrate
FL/FR
citronellyl isobutyrate
FL/FR
alpha-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
ethyl anthranilate
FL/FR
ethyl levulinate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
(E)-
ethyl tiglate
FL/FR
ethyl valerate
FL/FR
filbert hexenone
FL/FR
fruity ketal
FL/FR
geranyl butyrate
FL/FR
heliotropyl isobutyrate
FL/FR
2-
heptanol
FL/FR
methoxymelonal
FL/FR
methyl (Z)-3-hexenoate
FL/FR
methyl 2-methyl valerate
FL/FR
para-
methyl benzyl acetate
FL/FR
methyl heptanoate
FL/FR
alpha-
methyl ionone
FL/FR
methyl propionate
FL/FR
beta-
naphthyl anthranilate
FL/FR
nerolin fragarol
FL/FR
neryl isobutyrate
FL/FR
3-
nonanon-1-yl acetate
FL/FR
osmanthus concrete
FL/FR
phenethyl butyrate
FL/FR
phenethyl isovalerate
FL/FR
propyl formate
FL/FR
propyl isobutyrate
FL/FR
sambucus canadensis fruit absolute
FL/FR
star fruit oil cuba
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
strawberry glycidate 2
FL/FR
styralyl butyrate
FL/FR
tagete oil madagascar
FL/FR
terpinyl valerate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
tropical trithiane
FL/FR
vanilla carboxylate
FL/FR
green
iso
butyl isovalerate
FL/FR
(E)-
citronellyl tiglate
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 isovalerate
FL/FR
hexyl isobutyrate
FL/FR
hexyl isovalerate
FL/FR
hexyl octanoate
FL/FR
iso
jasmone
FL/FR
herbal
iso
dihydrolavandulal
FL/FR
honey
phenethyl isobutyrate
FL/FR
jammy
(S)-
campholene acetate
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
para-
anisyl formate
FL/FR
benzyl cinnamate
FL/FR
cinnamyl formate
FL/FR
methyl cinnamate
FL/FR
spicy acetoacetate
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
alpha-
amyl cinnamaldehyde
FL/FR
3-
mercaptohexyl acetate
FL/FR
waxy
butyl undecylenate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
propyl heptanoate
FL/FR
winey
valeraldehyde
FL/FR
woody
ambrette seed absolute
FL/FR
bornyl valerate
FL/FR
beta-
damascenone
FL/FR
beta-
ionone
FL/FR
beta-
ionyl acetate
FL/FR
juniper berry oleoresin
FL/FR
methyl ionyl acetate
FL/FR
orris rhizome oil CO2 extract
FL/FR
 
Potential Uses:
FRberry
FRfloral
FRfruit
FRgooseberry
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 cyclohexanepropanol, .alpha.,2,2,6-tetramethyl-, acetate
 cyclohexanepropanol, a,2,2,6-tetramethyl-, acetate
 cyclohexanepropanol, alpha,2,2,6-tetramethyl-, 1-acetate
 cyclohexanepropanol, alpha,2,2,6-tetramethyl-, acetate
alpha,2,2,6-tetramethyl cyclohexyl propyl acetate
4-(2,2,6-trimethylcyclohexyl)butan-2-yl acetate
 

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