3-cyclohexyl propyl butyrate
3-cyclohexylpropyl butyrate
 
Notes:
None found
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CAS Number: 94200-13-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 303-490-7
Nikkaji Web: J319.078A
XlogP3-AA: 4.40 (est)
Molecular Weight: 212.33268000
Formula: C13 H24 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
Specific Gravity: 0.91450 @  20.00 °C.
Refractive Index: 1.45110 @  20.00 °C.
Boiling Point: 135.00 to  136.00 °C. @ 1.87 mm Hg
Boiling Point: 265.00 to  266.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.009000 mmHg @ 25.00 °C. (est)
Flash Point: 232.00 °F. TCC ( 111.20 °C. ) (est)
logP (o/w): 4.795 (est)
Soluble in:
 alcohol
 water, 1.672 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: green
 
Odor Strength: medium
 
 cooling  green  waxy  
Odor Description:
at 100.00 %. 
faint cool green waxy
 
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 3-cyclohexyl propyl butyrate usage levels up to:
 not for fragrance use.
 
Recommendation for 3-cyclohexyl propyl butyrate flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 3023951
National Institute of Allergy and Infectious Diseases: Data
 3-cyclohexylpropyl butanoate
Chemidplus: 0094200132
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References:
 3-cyclohexylpropyl butanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 3023951
Pubchem (sid): 135217181
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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
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:
 butanoic acid, 3-cyclohexylpropyl ester
3-cyclohexylpropyl butanoate
3-cyclohexylpropyl butyrate
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Articles:
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