3,6-dimethyl-3-octyl acetate
3-octanol, 3,6-dimethyl-, acetate
 
Notes:
None found
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      W04271 3,6-dimethyl-3-octanyl acetate
       
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3,6-dimethyloctan-3-yl acetate (Click)
CAS Number: 60763-42-0Picture of molecule
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
 
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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
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Organoleptic Properties:
Odor Type: floral
 sweet  floral  fruity  honey  waxy  
Odor Description:
at 100.00 %. 
sweet floral fruity honey waxy
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
CTC Organics
3,6-dimethyl-3-octanyl acetate
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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
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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.
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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
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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
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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
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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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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Articles:
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