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cyclohexyl isobutyrate
propanoic acid, 2-methyl-, cyclohexyl ester

Supplier Sponsors

Name:cyclohexyl 2-methylpropanoate
CAS Number: 1129-47-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:214-448-1
FDA UNII: Search
Nikkaji Web:J203.372K
CoE Number:10548
XlogP3-AA:3.00 (est)
Molecular Weight:170.25186000
Formula:C10 H18 O2
NMR Predictor:Predict (works with chrome, Edge 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
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 204.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.288000 mmHg @ 25.00 °C. (est)
Flash Point: 166.00 °F. TCC ( 74.44 °C. )
logP (o/w): 3.111 (est)
Soluble in:
 alcohol
 water, 56.85 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Description:at 100.00 %. fruity
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Bell Flavors & Fragrances
Cyclohexyl Isobutyrate
Grau Aromatics
CYCLOHEXYL-iso-BUTYRATE
Inoue Perfumery
CYCLOHEXYL ISOBUTYRATE
Penta International
CYCLOHEXYL ISOBUTYRATE
SRS Aromatics
CYCLO HEXYL ISO 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:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for cyclohexyl isobutyrate usage levels up to:
  3.0000 % in the fragrance concentrate.
 
Recommendation for cyclohexyl isobutyrate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):1129-47-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :70792
National Institute of Allergy and Infectious Diseases:Data
cyclohexyl 2-methylpropanoate
Chemidplus:0001129471
 
References:
 cyclohexyl 2-methylpropanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1129-47-1
Pubchem (cid):70792
Pubchem (sid):135026970
 
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
Export Tariff Code:2915.60.0000
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
FRamber
FRfruit
FRopoponax
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 cyclohexyl 2-methylpropanoate
 cyclohexyl iso-butyrate
 cyclohexyl-iso-butyrate
2-methyl propanoic acid cyclohexyl ester
 propanoic acid, 2-methyl-, cyclohexyl ester
 
 
Notes:
None found
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