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citronellyl 2-methyl butyrate
citronellyl 2-methylbutanoate

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Name:3,7-dimethyloct-6-enyl 2-methylbutanoate
CAS Number: 85409-36-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:287-104-1
Nikkaji Web:J310.443E
XlogP3-AA:5.20 (est)
Molecular Weight:240.38656000
Formula:C15 H28 O2
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Perfumer and Flavorist:Search
Google Patents:Search
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EU Patents:Search
Pubchem Patents:Search
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 293.00 to 295.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.001000 mm/Hg @ 25.00 °C. (est)
Flash Point: 196.00 °F. TCC ( 91.11 °C. )
logP (o/w): 5.688 (est)
Soluble in:
 alcohol
 water, 0.2171 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
isoamyl 2-methyl butyrate
amyl 2-methyl butyrate
benzyl 2-methyl butyrate
bornyl 2-methyl butyrate
butyl 2-methyl butyrate
isobutyl 2-methyl butyrate
ethyl 2-hydroxy-2-methyl butyrate
(±)-ethyl 3-acetoxy-2-methyl butyrate
(±)-ethyl 3-hydroxy-2-methyl butyrate
ethyl 2-methyl butyrate
furfuryl 2-methyl butyrate
geranyl 2-methyl butyrate
heptyl 2-methyl butyrate
(E)-2-hexen-1-yl 2-methyl butyrate
(Z)-3-hexen-1-yl 2-methyl butyrate
3-hexen-1-yl 2-methyl butyrate
hexyl 2-methyl butyrate
methyl 3-acetoxy-2-methyl butyrate
2-methyl butyl 2-methyl butyrate
methyl 2-methyl butyrate
octyl 2-methyl butyrate
propyl 2-methyl butyrate
isopropyl 2-methyl butyrate
propylene glycol di-2-methyl butyrate
propylene glycol mono-2-methyl butyrate
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Grau Aromatics
CITRONELLYL-2-METHYLBUTYRATE
SRS Aromatics
CITRONELLYL 2 METHYL BUTYRATE
 
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
 
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :3020680
National Institute of Allergy and Infectious Diseases:Data
3,7-dimethyloct-6-enyl 2-methylbutanoate
Chemidplus:0085409365
 
References:
 3,7-dimethyloct-6-enyl 2-methylbutanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):3020680
Pubchem (sid):135269807
 
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:2915.60.0000
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 citronellyl 2 methyl butyrate
 citronellyl 2-methylbutanoate
 citronellyl 2-methylbutyrate
 citronellyl-2-methylbutyrate
3,7-dimethyl oct-6-enyl 2-methyl butyrate
3,7-dimethyloct-6-enyl 2-methylbutanoate
3,7-dimethyloct-6-enyl 2-methylbutyrate
2-methyl-butanoic acid 3,7-dimethyl-6-octenyl ester
 

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Notes:
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