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3-Methyloxepan-2-One
[CAS# 2549-61-3]

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CAS#: 2549-61-3
Product: 3-Methyloxepan-2-One
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Identification
Name 3-Methyloxepan-2-One
Synonyms 3-Methyl-2-Oxepanone; Methyl-Epsilon-Caprolactone (Mixed Isomers); Methyl-Xi-Caprolactone
Molecular Structure CAS#: 2549-61-3, 3-Methyloxepan-2-One
Molecular Formula C7H12O2
Molecular Weight 128.17
CAS Registry Number 2549-61-3
SMILES CC1C(OCCCC1)=O
InChI 1S/C7H12O2/c1-6-4-2-3-5-9-7(6)8/h6H,2-5H2,1H3
InChIKey IYBOGQYZTIIPNI-UHFFFAOYSA-N
Properties
Density 0.973g/cm3 (Cal.)
Boiling point 227.691°C at 760 mmHg (Cal.)
Flash point 85.995°C (Cal.)
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List of Reports Available for 3-Methyloxepan-2-One
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