EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
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3,6-dimethyl-3-octyl acetate
3-octanol, 3,6-dimethyl-, acetate

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Name: 3,6-dimethyloctan-3-yl acetate
CAS Number: 60763-42-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 262-415-5
Nikkaji Web: J268.283D
XlogP3-AA: 3.80 (est)
Molecular Weight: 200.32168000
Formula: C12 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
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 liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 211.00 to 212.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.180000 mm/Hg @ 25.00 °C. (est)
Flash Point: 182.00 °F. TCC ( 83.60 °C. ) (est)
logP (o/w): 4.451 (est)
Soluble in:
 alcohol
 water, 5.056 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: floral
 sweet floral fruity honey waxy
Odor Description:
at 100.00 %.
sweet floral fruity honey waxy
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Synerzine
3,6-Dimethyl-3-octanyl Acetate
 
Safety Information:
 
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 LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 799, 1975.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 799, 1975.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
Recommendation for 3,6-dimethyl-3-octyl acetate usage levels up to:
  0.5000 % in the fragrance concentrate.
 
Recommendation for 3,6-dimethyl-3-octyl acetate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 60763-42-0
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 108506
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 3,6-dimethyloctan-3-yl acetate
Chemidplus: 0060763420
 
References:
 3,6-dimethyloctan-3-yl acetate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 60763-42-0
Pubchem (cid): 108506
Pubchem (sid): 135066193
 
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: 2915.39.9050
ChemSpider: View
 
Potential Blenders and core components note
For Odor
aldehydic
3-
methyl-4-hexyl oxybutyraldehyde
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
eucalyptus macarthurii oil
FR
hibiscus fragrance
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
pink
nelumbo nucifera flower absolute
FR
white
nelumbo nucifera flower absolute
FR
white
nelumbo nucifera flower concrete
FR
osmanthus absolute replacer
FR
rose undecene
FR
sambucus nigra flower oil CO2 extract
FR
souroubea specialty
FR
tetrahydroionyl acetate
FR
tilia cordata flower oil CO2 extract
FR
fruity
allyl benzoate
FR
benzaldehyde / methyl anthranilate schiff's base
FR
berry hexanoate
FR
eriocephalus punctulatus flower oil
FR
ginsene
FR
methyl bicycloheptenyl methyloxirane carboxylate
FR
myrascone
FR
peach nitrile
FR
plum damascone (high alpha)
FR
cis-
woody acetate
FR
green
phenyl acetaldehyde ethylene glycol acetal
FR
rosa damascena leaf absolute
FR
1-[(3aS,7aR)-3a,4,7,7a-
tetrahydro-1H-inden-6-yl]ethanone
FR
herbal
chamomile isobutyrate
FR
chamomile propionate
FR
american
elder flower absolute
FR
geranium cyclohexane
FR
methyl cyclogeranate (Firmenich)
FR
sweet
beeswax absolute replacer
FR
tropical
triflaige A
FR
woody
2-
decalinyl acetate
FR
melozol acetate
FR
rhubarb oxirane
FR
For Flavor
 
Potential Uses:
None Found
 
Occurrence (nature, food, other): note
 not found in nature
 
Synonyms:
3,6-dimethyl octan-3-yl acetate
3,6-dimethyl-3-octanol acetate
3,6-dimethyl-3-octanyl acetate
3,6-dimethyloctan-3-yl acetate
3-octanol, 3,6-dimethyl-, acetate
 

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Notes:
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