EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

epsilon-caprolactone
hexamethylene oxide, 2-oxo-

Supplier Sponsors

Name:oxepan-2-one
CAS Number: 502-44-3Picture of molecule3D/inchi
Other(deleted CASRN):52004-64-5
ECHA EINECS - REACH Pre-Reg:207-938-1
FDA UNII: 56RE988L1R
Nikkaji Web:J1.566K
Beilstein Number:0106919
MDL:MFCD00003267
Molecular Weight:114.14410000
Formula:C6 H10 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:indirect food additives: adhesives and components of coatings
 
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
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
DG SANTE Food Contact Materials:caprolactone
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.03000 @ 25.00 °C.
Melting Point: -1.00 °C. @ 760.00 mm Hg
Boiling Point: 215.00 °C. @ 760.00 mm Hg
Boiling Point: 140.00 °C. @ 35.00 mm Hg
Vapor Pressure:0.135000 mmHg @ 25.00 °C.
Flash Point: 229.00 °F. TCC ( 109.44 °C. )
logP (o/w): 0.422 (est)
Soluble in:
 water, 2.786e+004 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BASF
epsilon-Caprolactone
BOC Sciences
For experimental / research use only.
epsilon-Hexalactone
Charkit Chemical
CAPROLACTONE
Penta International
EPSILON CAPROLACTONE
Sigma-Aldrich: Aldrich
For experimental / research use only.
epsilon-Caprolactone 97%
sds
TCI AMERICA
For experimental / research use only.
epsilon-Caprolactone >99.0%(GC)
sds
 
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:
oral-rat LD50 4290 mg/kg
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

intraperitoneal-mouse LD50 1300 mg/kg
JNCI, Journal of the National Cancer Institute. Vol. 62, Pg. 911, 1979.

Dermal Toxicity:
skin-rabbit LD50 5990 ul/kg
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
indirect food additives: adhesives and components of coatings
Recommendation for epsilon-caprolactone usage levels up to:
 not for fragrance use.
 
Recommendation for epsilon-caprolactone flavor usage levels up to:
 not for flavor use.
 
Safety References:
European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC) on a request from the Commission related to the introduction of a Fat (consumption) Reduction Factor for infants and children.
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA GENetic TOXicology:Search
EPA Substance Registry Services (TSCA):502-44-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :10401
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
oxepan-2-one
Chemidplus:0000502443
RTECS:MO8400000 for cas# 502-44-3
 
References:
 oxepan-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:502-44-3
Pubchem (cid):10401
Pubchem (sid):134978590
 
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
FDA Indirect Additives used in Food Contact Substances:View
CHEBI:View
CHEMBL:View
Metabolomics Database:Search
UM BBD:Search
KEGG (GenomeNet):C01880
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2932.29.5050
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 caprolactone
1-oxa-2-oxocycloheptane
2-oxacycloheptanone
2-oxohexamethylene oxide
 hexamethylene oxide, 2-oxo-
 hexan-6-olide
6-hexanolactone
1,6-hexanolide
6-hexanolide
6-hydroxyhexan-6-olide
6-hydroxyhexanoic acid lactone
 oxepan-2-one
2-oxepanone
 placcel M
 

Articles:

PubMed:Enhanced Production of epsilon-Caprolactone by Coexpression of Bacterial Hemoglobin Gene in Recombinant Escherichia coli Expressing Cyclohexanone Monooxygenase Gene.
PubMed:Biocatalytic synthesis of δ-gluconolactone and ε-caprolactone copolymers.
PubMed:Controlled protein delivery from electrospun non-wovens: novel combination of protein crystals and a biodegradable release matrix.
PubMed:Characterization of poly(ε-caprolactone)-based nanocomposites containing hydroxytyrosol for active food packaging.
PubMed:Dual-Component System Dimethyl Sulfoxide/LiCl as a Solvent and Catalyst for Homogeneous Ring-Opening Grafted Polymerization of ε-Caprolactone onto Xylan.
PubMed:Reversal of multidrug resistance by the inhibition of ATP-binding cassette pumps employing "Generally Recognized As Safe" (GRAS) nanopharmaceuticals: A review.
PubMed:Characterisation and stability evaluation of bixin nanocapsules.
PubMed:Active systems based on silver-montmorillonite nanoparticles embedded into bio-based polymer matrices for packaging applications.
PubMed:Productivity of cyclohexanone oxidation of the recombinant Corynebacterium glutamicum expressing chnB of Acinetobacter calcoaceticus.
PubMed:Development of nanostructured thermoregulating textile materials.
PubMed:Diversity of bacterial isolates from commercial and homemade composts.
PubMed:Polyester-degrading thermophilic actinomycetes isolated from different environment in Taiwan.
PubMed:PLGA 90/10 and caprolactone biodegradable nerve guides for the reconstruction of the rat sciatic nerve.
PubMed:Effects of chronic administration of naltrexone on appetitive behaviors of rats.
 
Notes:
None found
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