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

(S)-citronellyl isobutyrate
(S)-3,7-dimethyl-6-octen-1-yl 2-methylpropanoate

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CAS Number: 94086-62-1Picture of molecule3D/inchi
FDA UNII: 1Q3N9HR255
Nikkaji Web:J368.012F
XlogP3-AA:4.80 (est)
Molecular Weight:226.35962000
Formula:C14 H26 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
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Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Soluble in:
 water, 0.6792 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Inoue Perfumery
CITRONELLYL ISOBUTYRATE S
Moellhausen
ISOCAMPHYLCYCLOHEXANOL
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :37888402
National Institute of Allergy and Infectious Diseases:Data
[(3S)-3,7-dimethyloct-6-enyl] 2-methylpropanoate
Chemidplus:0094086621
 
References:
 [(3S)-3,7-dimethyloct-6-enyl] 2-methylpropanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):37888402
Pubchem (sid):135217721
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (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
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
(S)-citronellyl 2-methyl propanoate
(S)-citronellyl 2-methylpropanoate
 citronellyl isobutyrate S
(S)-citronellyle isobutyrate
(S)-3,7-dimethyl-6-octen-1-yl 2-methyl propanoate
(S)-3,7-dimethyl-6-octen-1-yl 2-methylpropanoate
(S)-3,7-dimethyl-6-octen-1-yl isobutyrate
(S)-3,7-dimethyl-6-octenyl isobutyrate
(S)-3,7-dimethyl-6-octenyl methyl propionate
(S)-3,7-dimethyl-6-octenyl methylpropionate
(S)-3,7-dimethyloct-6-en-1-yl 2-methylpropanoate
(S)-3,7-dimethyloct-6-enyl isobutyrate
[(3S)-3,7-dimethyloct-6-enyl] 2-methylpropanoate
(S)-isobutirrato citronellile
2-methyl propanoic acid (S)-3,7-dimethyl-6-octenyl ester
 propanoic acid, 2-methyl-, (3S)-3,7-dimethyl-6-octen-1-yl ester
 propanoic acid, 2-methyl-, (3S)-3,7-dimethyl-6-octenyl
 
 
Notes:
None found
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