(S)-gamma-hexalactone
(S)-6-caprolactone
 
Notes:
None found
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CAS Number: 41035-07-8Picture of molecule3D/inchi
Nikkaji Web: J181.783C
MDL: MFCD26406407
XlogP3: 0.70 (est)
Molecular Weight: 114.14410000
Formula: C6 H10 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 to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 214.00 to  215.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.152000 mmHg @ 25.00 °C. (est)
Flash Point: 175.00 °F. TCC ( 79.30 °C. ) (est)
logP (o/w): 0.259 (est)
Soluble in:
 alcohol
 water, 3.219e+004 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor Type: coconut
 
 sweet  creamy  coconut  woody  
Odor Description:
at 1.00 % in dipropylene glycol. 
sweet creamy coconut woody
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Sigma-Aldrich: Sigma
For experimental / research use only.
(S)-gamma-Hexalactone ≥98.5% (GC)
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Safety Information:
Preferred SDS: View
 
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 (S)-gamma-hexalactone usage levels up to:
 not for fragrance use.
 
Recommendation for (S)-gamma-hexalactone 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 ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5325911
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 (5S)-5-ethyloxolan-2-one
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References:
Leffingwell: Chirality or Article
 (5S)-5-ethyloxolan-2-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5325911
Pubchem (sid): 8004176
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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
EFSA Update of results on the monitoring of furan levels in food: Read Report
EFSA Previous report: Results on the monitoring of furan levels in food: Read Report
EFSA Report of the CONTAM Panel on provisional findings on furan in food: Read Report
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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:
(S)-6-caprolactone
(S)-gamma-caprolactone
(S)-dehydrotonkalide
(S)-(-)-4-ethyl butan-4-olide
(S)-4-ethyl butan-4-olide
(S)-ethyl butyrolactone
(S)-gamma-ethyl butyrolactone
(S)-5-ethyl dihydro-2(3H)-furanone
(S)-5-ethyl tetrahydro-2-furanone
(S)-4-ethyl-4-butanolide
(S)-4-ethyl-4-hydroxybutanoic acid lactone
(S)-gamma-ethyl-gamma-butyrolactone
(S)-gamma-ethyl-N-butyrolactone
(S)-4-ethylbutan-4-olide
(5S)-5-ethyloxolan-2-one
(S)-5-ethyloxolan-2-one
(S)-(-)-gamma-hexalactone
(S)-hexan-4-olide
(S)-gamma-hexanolactone
(S)-4-hexanolide
(S)-hexanolide-1,4
(S)-4-hydroxyhexanoic acid gamma-lactone
(S)-4-hydroxyhexanoic acid lactone
(S)-tonkalide
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