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Home> Encyclopedia > Hot Product Listed 6   > 6-Hexanolactone
502-44-3 structure

6-Hexanolactone

Iupac Name:oxepan-2-one
CAS No.:502-44-3
EINECS(EC#): 207-938-1
Molecular Weight:114.1424
Molecular Formula:C6H10O2 (isomer)
Names and Identifiers
Synonyms

.epsilon.-Caprolactone .epsilon.-Caprolactone monomer .epsilon.-Kaprolakton 1,6-Hexanolide 1-Oxa-2-oxocycloheptane 2198-EP2277565A2 2198-EP2277566A2 2198-EP2277567A1 2198-EP2277568A2 2198-EP2277569A2 2198-EP2277570A2 2198-EP2292280A1 2198-EP2292630A1 2198-EP2295399A2 2198-EP2295412A1 2198-EP2295413A1 2198-EP2308872A1 2198-EP2311837A1 2198-EP2316829A1 2198-EP2316834A1 24112-EP2295439A1 24112-EP2308865A1 24112-EP2311825A1 24112-EP2314590A1 24112-EP2374895A1 24980-41-4 2-Oxacycloheptanone 2-Oxepanone 2-Oxepanone, homopolymer 2-oxepanone, homopolymer, minimum number average molecular weight (in amu) 52,000 2-oxohexamethylene oxide 2-Oxooxopane 502-44-3 5-17-09-00034 (Beilstein Handbook Reference) 56RE988L1R 6-Caprolactone monomer 6-Hexanalactone 6-Hexanolide 6-Hydroxyhexanoic acid lactone 6-hydroxyhexanoic acid, epsilon-lactone 80137-66-2 A828019 AC1L1V4E ACMC-1B0GI AK164169 AKOS005721108 AN-21430 AS-14738 BB_SC-06787 BBL011394 BDBM50167993 bmse000493 BRN 0106919 c0059 C01880 C-29926 Caprolactam homopolymer Caprolactone Caprolactone A CAS-502-44-3 CC-27497 CHEBI:17915 CHEMBL373123 CJ-03243 CS-W016607 CTK5E7505 DB-051739 DSSTox_CID_7159 DSSTox_GSID_27159 DSSTox_RID_78329 DTXSID4027159 EC 207-938-1 e-Caprolactone ECE e-Hexanolactone EINECS 207-938-1 epsilon caprolactone Epsilon-caprolactone epsilon-Caprolactone monomer epsilon-Caprolactone monomer, 99% epsilon-Caprolactone, 97% epsilon-Hexalactone epsilon-Kaprolakton epsilon-Kaprolakton [Czech] F0001-1311 FCH1117904 FT-0625678 Hexamethylene oxide, 2-oxo- Hexan-6-olide hexano-6-lactone Hexanoic acid, .epsilon.-lactone Hexanoic acid, 6-hydroxy-, .epsilon.-lactone Hexanoic acid, 6-hydroxy-, e-lactone Hexanoic acid, 6-hydroxy-, epsilon-lactone Hexanoic acid, 6-hydroxy-, lactone Hexanoic acid, epsilon-lactone Hexanoicacid, 6-hydroxy-, lactone (6CI) HSDB 5670 InChI=1/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H LS-75330 M374 MCULE-3051096014 MFCD00003267 MFCD00084404 NCGC00248619-01 NCGC00257999-01 Nyrim 1 Additive 6 Oxepan-2-one PAPBSGBWRJIAAV-UHFFFAOYSA-N Placcel M POLYCAPROLACTONE Polycaprolactone (Med MW) PubChem15924 SC-93827 SCHEMBL10850 SR-01000944724 SR-01000944724-1 STL146497 Tone ECEQ Tone Monomer EC Tox21_200445 UNII-56RE988L1R W-109083 ZB011499 ZINC388417

Inchi
InChI=1/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2
InChkey
PAPBSGBWRJIAAV-UHFFFAOYSA-N
Canonical Smiles
C1CCC(=O)OCC1
Isomers Smiles
C1CCC(=O)OCC1
Properties
Appearance
Clear colorless liquid, yellowing on ageing
Density
1.03
Melting Point
-1℃
Boiling Point
235.3-97.4℃
Vapour
0.13 mmHg
Refractive Index
1.462-1.464
Flash Point
109℃
Solubility
>1000 mg/L (20 oC)
HS Code
2932209090
Spectral properties
IR: 14710 (Sadtler Research Laboratories Prism Collection)
NMR: 18781 (Sadtler Research Laboratories Spectral Collection)
MASS: 398 (Atlas of Mass Spectral Data, John Wiley & Sons, New York)
Safety and Handling
Hazard Codes
Xi
Risk Statements
R36/38
Safety Statements
S26;S37/39
Octanol/Water Partition Coefficient
log Kow= 1.215 (calc)
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:114.1424g/mol
  • Molecular Formula:C6H10O2
  • XLogP3-AA:0
  • Exact Mass:114.06808
  • Monoisotopic Mass:114.06808
  • Complexity:88.5
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26.3
  • Heavy Atom Count:8
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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