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Valeranone
[CAS# 5090-54-0]

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Identification
Name Valeranone
Synonyms (7R)-7-Isopropyl-4A,8A-Dimethyl-Decalin-1-One; (7R)-7-Isopropyl-4A,8A-Dimethyl-1-Decalinone; 1(2H)-Naphthalenone, Octahydro-7-Beta-Isopropyl-4A-Alpha,8A-Alpha-Dimethyl-, (-)
Molecular Structure CAS#: 5090-54-0, Valeranone
Molecular Formula C15H26O
Molecular Weight 222.37
CAS Registry Number 5090-54-0
SMILES [C@@H]1(CC2(C(CC1)(CCCC2=O)C)C)C(C)C
InChI 1S/C15H26O/c1-11(2)12-7-9-14(3)8-5-6-13(16)15(14,4)10-12/h11-12H,5-10H2,1-4H3/t12-,14?,15?/m1/s1
InChIKey HDVXJTYHXDVWQO-LRVUVFPRSA-N
Properties
Density 0.94g/cm3 (Cal.)
Boiling point 287.882°C at 760 mmHg (Cal.)
Flash point 120.371°C (Cal.)
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