Basic information
- CAS
18261-92-2- Standard SMILES
CCCCCCCCCCCCCCCC(=O)CC- InChIKey
LMCGARAPKXJPNG-UHFFFAOYSA-N- Molecular formula
- C18H36O
- Average molar mass
- 268.5 g/mol
- Monoisotopic mass
- 268.27661577
Overview
octadecan-3-one has been reported in Cochlospermum tinctorium with data available.
Names & identifiers
- Preferred name
- 3-Octadecanone
- IUPAC
- octadecan-3-one
- English name
- 3-OCTADECANONE
- Molecular formula
- C18H36O
- Molecular weight
- 268.48
Names & synonyms
3-OctadecanoneOctadecan-3-oneEINECS 242-132-3DTXSID10171311NSC 229418RefChem:95186DTXCID9093802242-132-3LMCGARAPKXJPNG-UHFFFAOYSA-N18261-92-2NSC-229418ETHYL PENTADECYL KETONE
Show more names
NISTC18261922Octadecane-3-one3-OCTADECANONE 97%ETHYL N-PENTADECYL KETONEEthyl N-pentadecyl ketone 97%
AethylpentadecylketonNSC2294186E54YCX3QTSCHEMBL2782616SCHEMBL9459406SCHEMBL9459408AKOS024333781FO68105
Database identifiers
- CAS
18261-92-2- PubChem CID
- 87532
- DTXSID
DTXSID10171311- UNII
- 6E54YCX3QT
- EC Number
- 242-132-3
- Nikkaji
- J112.396C
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 15
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 186
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- 51 °C · 51°C
- Boiling point
- 336.64 °C · 336.64°C (estimate)
- Density
- 0.8453 · 0.8453 (estimate)
- refractive index
- 1.4494 · 1.4494 (estimate)
- LogP
- 7.601 · 7.601 (est)
- FDA UNII
- 6 E54YCX3QT · 6E54YCX3QT
Chemistry & industry
Applications
Uses3-Octadecanone can be useful in enantioselective synthesis of carbinols via Amano lipase-catalyzed enzymic hydrolysis of acetates.
Suppliers4 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
BOC Sciences[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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