ChemicalBook--->CAS DataBase List--->502-44-3

502-44-3

502-44-3 Structure

502-44-3 Structure
IdentificationMore
[Name]

6-Hexanolactone
[CAS]

502-44-3
[Synonyms]

2-OXEPANONE
6-CAPROLACTONE
6-HEXANOLACTONE
6-HEXANOLIDE
6-HYDROXYCAPROIC ACID LACTONE
CAPROLACTONE
E-CAPROLACTONE
EPSILON-CAPROLACTONE
EPSILON-CAPROLACTONE MONOMER
EPSILON-HEXALACTONE
EPSILON-HEXANOLACTONE
1,6-Hexanolide
1-Oxa-2-oxocycloheptane
2-Oxacycloheptanone
2-oxo-hexamethyleneoxid
5-Caprolactone
6-Caprolactone monomer
6-Hexanalactone
6-Hexanolacetone
6-Hydroxyhexan-6-olide
[EINECS(EC#)]

207-938-1
[Molecular Formula]

C6H10O2
[MDL Number]

MFCD00003267
[Molecular Weight]

114.14
[MOL File]

502-44-3.mol
Chemical PropertiesBack Directory
[Appearance]

clear liquid
[Melting point ]

-1 °C
[Boiling point ]

96-97.5 °C10 mm Hg(lit.)
[density ]

1.03 g/mL at 25 °C(lit.)
[vapor density ]

3.9 (vs air)
[vapor pressure ]

0.01 mm Hg ( 20 °C)
[refractive index ]

n20/D 1.463(lit.)
[Fp ]

229 °F
[storage temp. ]

Store below +30°C.
[solubility ]

Chloroform, Ethyl Acetate
[form ]

Liquid
[color ]

Clear colorless, yellowing on aging
[explosive limit]

1.2-9%(V)
[Water Solubility ]

>1000 MG/L (20 ºC)
[BRN ]

106919
[Henry's Law Constant]

5.5×10-2 mol/(m3Pa) at 25℃, HSDB (2015)
[InChI]

1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2
[InChIKey]

PAPBSGBWRJIAAV-UHFFFAOYSA-N
[SMILES]

O=C1CCCCCO1
[LogP]

0.32 at 20℃
[Uses]

Intermediate in adhesives, urethane coatings, and elastomers; solvent; diluent for epoxy resins; synthetic fibers; organic synthesis.
[CAS DataBase Reference]

502-44-3(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Oxepanone(502-44-3)
[EPA Substance Registry System]

502-44-3(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313
[Hazard Codes ]

Xi
[Risk Statements ]

R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
R36/38:Irritating to eyes and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

2
[RTECS ]

MO8400000
[Autoignition Temperature]

204 °C
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29322090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
[Hazardous Substances Data]

502-44-3(Hazardous Substances Data)
[Toxicity]

LD50 orally in Rabbit: > 2000 mg/kg LD50 dermal Rabbit 5990 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Cyclohexanone-->Peroxyacetic acid-->Ozone-->Dicyclohexanone Diperoxide-->6-HYDROXYCAPROIC ACID
[Preparation Products]

(5-Carboxypentyl)(triphenyl)phosphonium bromide-->tert-Butyl 6-Hydroxyhexanoate-->6-CHLOROHEXANOYL CHLORIDE-->ADIPIC SEMIALDEHYDE METHYL ESTER-->8-fluoro-3-methyl-octanoic acid
Hazard InformationBack Directory
[Chemical Properties]

Clear colorless liquid, yellowing on ageing
[Definition]

ChEBI: A epsilon-lactone that is oxepane substituted by an oxo group at position 2.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 80, p. 4079, 1958 DOI: 10.1021/ja01548a063
The Journal of Organic Chemistry, 61, p. 4560, 1996 DOI: 10.1021/jo952237x
Tetrahedron Letters, 17, p. 2455, 1976 DOI: 10.1016/0040-4039(76)90018-6
[General Description]

ε-caprolactone is a cyclic ester. Ring opening polymerization of ε-caprolactone initiated by, tributylin n butoxide, ethyl magnesium bromide, or samarium acetate or heteropolyacid, leads to the formation of poly caprolactone (PCL).
[Flammability and Explosibility]

Notclassified
Spectrum DetailBack Directory
[Spectrum Detail]

ε-Caprolactone(502-44-3)MS
ε-Caprolactone(502-44-3)13CNMR
ε-Caprolactone(502-44-3)IR1
ε-Caprolactone(502-44-3)IR2
ε-Caprolactone(502-44-3)IR3
ε-Caprolactone(502-44-3)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

epsilon-Caprolactone monomer, 99%(502-44-3)
[Alfa Aesar]

epsilon-Caprolactone, 99%(502-44-3)
[Sigma Aldrich]

502-44-3(sigmaaldrich)
[TCI AMERICA]

epsilon-Caprolactone,>99.0%(GC)(502-44-3)
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