2-Ethylbutyl octanoate

HCID 229894
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Basic information

CAS
5457-77-2
Standard SMILES
CCCCCCCC(=O)OCC(CC)CC
InChIKey
FKCFSNLCWYKYCS-UHFFFAOYSA-N
Molecular formula
C14H28O2
Average molar mass
228.37 g/mol
Monoisotopic mass
228.20893013

Names & identifiers

Preferred name
2-Ethylbutyl octanoate
IUPAC
2-ethylbutyl octanoate
English name
2-ethylbutyl octanoate
Molecular formula
C14H28O2
Molecular weight
228.37

Names & synonyms

2-ethylbutyl octanoate5457-77-2DTXSID50282051RefChem:260666DTXCID50233205NSC239592-Ethylbutyl CaprylateSCHEMBL3744677FKCFSNLCWYKYCS-UHFFFAOYSA-NNSC-23959Octanoic acid, 2-ethylbutyl ester

Database identifiers

CAS
5457-77-2
PubChem CID
229894
DTXSID
DTXSID50282051

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
11
Heavy atoms
16

Physicochemical properties

Boiling point
265.4 · 265.4±8.0 °C(Predicted)
Density
0.866 · 0.866±0.06 g/cm3(Predicted)

Chemistry & industry

Suppliers2 total

Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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