2-Octadecanone
Basic information
- CAS
7373-13-9- Standard SMILES
CCCCCCCCCCCCCCCCC(C)=O- InChIKey
PJLJQAWUAPNCJC-UHFFFAOYSA-N- Molecular formula
- C18H36O
- Average molar mass
- 268.5 g/mol
- Monoisotopic mass
- 268.27661577
Overview
2-Octadecanone has been reported in Vaccinium macrocarpon, Euphorbia falcata, and other organisms with data available.
Names & identifiers
- Preferred name
- 2-Octadecanone
- IUPAC
- octadecan-2-one
- English name
- 2-OCTADECANONE
- Molecular formula
- C18H36O
- Molecular weight
- 268.48
Names & synonyms
2-Octadecanoneoctadecan-2-oneMethyl n-hexadecyl ketoneDTXSID30224055NSC 101084RefChem:88846DTXCID30146546PJLJQAWUAPNCJC-UHFFFAOYSA-N7373-13-9NSC101084SCHEMBL29092SCHEMBL536800
Show more names
HEXADECYL METHYL KETONEMethyln-hexadecylketone2-Octadecanone in isooctane
SCHEMBL3475165SCHEMBL8371729SCHEMBL8668253CHEMBL32735762-Octadecanone, >=97.0% (GC)NSC-101084
Database identifiers
- CAS
7373-13-9- PubChem CID
- 81844
- DTXSID
DTXSID30224055- ChEMBL
CHEMBL3273576- Nikkaji
- J97.901E
Properties
Computed structural properties
- XLogP
- 7.9
- 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 PropertiesBoiling point
Physicochemical properties
- Melting point
- 50 · 50-54℃
- Boiling point
- 145 ℃/0.7mmHg · 145℃/0.7mmHg(lit.)
- Density
- 0.8453 · 0.8453 (estimate)
- refractive index
- 1.45 · 1.4500 (estimate)
- LogP
- 7.601 · 7.601 (est)
- Safety Statements
- 22 · 22-24/25
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
- safety_code
- 22-24/25
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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