Hexanoic acid, 2-ethyl-, hexyl ester
Basic information
- CAS
20748-87-2- Standard SMILES
CCCCCCOC(=O)C(CC)CCCC- InChIKey
HGJAQCVKJLUCKW-UHFFFAOYSA-N- Molecular formula
- C14H28O2
- Average molar mass
- 228.37 g/mol
- Monoisotopic mass
- 228.20893013
Names & identifiers
- Preferred name
- Hexanoic acid, 2-ethyl-, hexyl ester
- IUPAC
- hexyl 2-ethylhexanoate
- English name
- hexyl 2-ethylhexanoate
- Molecular formula
- C14H28O2
- Molecular weight
- 228.37
Names & synonyms
Hexyl 2-ethylhexanoateHexanoic acid, 2-ethyl-, hexyl esterEINECS 244-006-3NSC 8254AI3-23183DTXSID708851492-Ethylhexanoic acid,n-hexyl esterRefChem:146196DTXCID101024547244-006-3HGJAQCVKJLUCKW-UHFFFAOYSA-N20748-87-2
Show more names
2-Ethylhexanoic acid hexyl ester
NSC-8254YVF4FS3AXTSCHEMBL333450NSC8254NS00050225
Database identifiers
- CAS
20748-87-2- PubChem CID
- 89379
- DTXSID
DTXSID70885149- UNII
- YVF4FS3AXT
- EC Number
- 244-006-3
- Nikkaji
- J225.323B
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- LogP
- 5.724 · 5.724 (est)
- EPA Substance Registry System
- 2 · Hexyl 2-ethylhexanoate (20748-87-2)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexanoic acid, 2-ethyl-, hexyl ester: INACTIVE
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Compound notes
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