Hexadecyl 6-methylheptanoate

HCID 528356
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Basic information

CAS
72585-97-8
Standard SMILES
CCCCCCCCCCCCCCCCOC(=O)CCCCC(C)C
InChIKey
OIKBVOIOVNEVJR-UHFFFAOYSA-N
Molecular formula
C24H48O2
Average molar mass
368.6 g/mol
Monoisotopic mass
368.36543077

Names & identifiers

Preferred name
Hexadecyl 6-methylheptanoate
IUPAC
hexadecyl 6-methylheptanoate
English name
hexadecyl isooctanoate
Molecular formula
C24H48O2
Molecular weight
368.63672

Names & synonyms

Hexadecyl 6-methylheptanoateCetyl isooctanoateHexadecyl isooctanoate94088-84-372585-97-8EINECS 276-724-8EINECS 302-087-3W9BRN2L2J2SCHEMBL196820DTXSID40916515Isooctanoic acid, hexadecyl esterNS00063919

Database identifiers

CAS
72585-97-8、94088-84-3
PubChem CID
528356
DTXSID
DTXSID40916515
UNII
W9BRN2L2J2
EC Number
276-724-8、302-087-3
Nikkaji
J288.570K

Properties

Computed structural properties

XLogP
10.6
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
21
Heavy atoms
26

Experimental & physicochemical properties

Kovats Retention Index2460

Chemistry & industry

Suppliers1 total

安那莱（齐河）新材料科技有限公司18600642180（微信同） 13391601435 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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