502-44-3

Name 6-Hexanolactone
CAS 502-44-3
EINECS(EC#) 207-938-1
Molecular Formula C6H10O2
MDL Number MFCD00003267
Molecular Weight 114.14
MOL File 502-44-3.mol
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Chemical Properties

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)
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Safety Data

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

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