alpha-citronellyl senecioate
2-butenoic acid, 3-methyl-, 3,7-dimethyl-7-octenyl ester
 
Notes:
None found
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CAS Number: 74499-48-2Picture of molecule3D/inchi
XlogP3-AA: 5.90 (est)
Molecular Weight: 254.41350000
Formula: C16 H30 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: information only not used for fragrances or flavors
 
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 317.00 to  319.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.000370 mmHg @ 25.00 °C. (est)
Flash Point: 190.00 °F. TCC ( 87.78 °C. )
logP (o/w): 5.932 (est)
Soluble in:
 alcohol
 water, 0.06845 mg/L @ 25 °C (est)
Similar Items: note
isoamyl senecioate
citronellyl senecioate
ethyl senecioate
(Z)-3-hexen-1-yl senecioate
phenethyl senecioate
prenyl senecioate
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: information only not used for fragrances or flavors
Recommendation for alpha-citronellyl senecioate usage levels up to:
 not for fragrance use.
 
Recommendation for alpha-citronellyl senecioate flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 74499-48-2
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 3085995
National Institute of Allergy and Infectious Diseases: Data
 [(3R)-3,7-dimethyloct-7-enyl] (2S)-2,3-dimethylbutanoate
Chemidplus: 0074499482
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References:
 [(3R)-3,7-dimethyloct-7-enyl] (2S)-2,3-dimethylbutanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 3085995
Pubchem (sid): 135233094
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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
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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:
2-butenoic acid, 3-methyl-, 3,7-dimethyl-7-octen-1-yl ester
2-butenoic acid, 3-methyl-, 3,7-dimethyl-7-octenyl ester
a-citronellyl 3-methyl-2-butenoate
alpha-citronellyl 3-methyl-2-butenoate
[(3R)-3,7-dimethyloct-7-enyl] (2S)-2,3-dimethylbutanoate
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