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3,3,5-Trimethyloxepan-2-One
[CAS# 56305-13-6]

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CAS#: 56305-13-6
Product: 3,3,5-Trimethyloxepan-2-One
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Identification
Name 3,3,5-Trimethyloxepan-2-One
Synonyms 3,3,5-Trimethyl-2-Oxepanone
Molecular Structure CAS#: 56305-13-6, 3,3,5-Trimethyloxepan-2-One
Molecular Formula C9H16O2
Molecular Weight 156.22
CAS Registry Number 56305-13-6
EINECS 260-103-3
SMILES CC1(C(OCCC(C1)C)=O)C
InChI 1S/C9H16O2/c1-7-4-5-11-8(10)9(2,3)6-7/h7H,4-6H2,1-3H3
InChIKey JRFFZQFBDMFGRM-UHFFFAOYSA-N
Properties
Density 0.918g/cm3 (Cal.)
Boiling point 230.887°C at 760 mmHg (Cal.)
Flash point 87.646°C (Cal.)
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