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
aldehydic
3-
methyl-4-hexyl oxybutyraldehyde
FR
anisic
para-
anisyl propanal
FR
balsamic
conifer acetate
FR
fir balsam absolute
FR
citrus
(R)-
citronellyl nitrile
FR
citronitrile (Symrise)
FR
floral
acetal 318
FR
blue lagoon fragrance
FR
3-
cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
FR
cymbopogon validus leaf oil
FR
3,6-
dimethyl-3-octyl acetate
FR
eucalyptus macarthurii oil
FR
hibiscus fragrance
FR
hyacinth ether
FR
jasmin cyclopentanone
FR
magnolia specialty
FR
menthadienyl formate
FR
ortho-
methoxybenzyl ethyl ether
FR
1-(2-
methyl allyl oxy)-3-methoxy-3-methyl-1-butane
FR
white
nelumbo nucifera flower absolute
FR
pink
nelumbo nucifera flower absolute
FR
white
nelumbo nucifera flower concrete
FR
osmanthus absolute replacer
FR
rose carboxylate
FR
rose undecene
FR
souroubea specialty
FR
fruity
allyl benzoate
FR
benzaldehyde / methyl anthranilate schiff's base
FR
berry hexanoate
FR
eriocephalus punctulatus flower oil
FR
ethyl para-methyl-beta-phenyl glycidate
FR
ginsene
FR
leather propionate
FR
methyl beta-ionol
FR
methyl bicycloheptenyl methyloxirane carboxylate
FR
myrascone
FR
peach nitrile
FR
plum damascone (high alpha)
FR
prune glycidate
FR
rhubarb pyran
FR
cis-
woody acetate
FR
green
acetaldehyde methyl hexyl acetal
FR
hexoxyacetaldehyde dimethyl acetal
FR
1-[(3aS,7aR)-3a,4,7,7a-
tetrahydro-1H-inden-6-yl]ethanone
FR
herbal
chamomile isobutyrate
FR
chamomile propionate
FR
chamomile valerate
FR
clary propyl acetate
FR
geranium cyclohexane
FR
herbal undecanone
FR
methyl cyclogeranate (Firmenich)
FR
jammy
ethyl 2-methyl-2-pentenoate
FR
tropical
triflaige A
FR
woody
2-
decalinyl acetate
FR
melozol acetate
FR
rhubarb oxirane
FR
For Flavor
 
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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