Myristophenone
Basic information
- CAS
4497-05-6- Standard SMILES
CCCCCCCCCCCCCC(=O)c1ccccc1- InChIKey
LXUIUVLDNRQBQJ-UHFFFAOYSA-N- Molecular formula
- C20H32O
- Average molar mass
- 288.5 g/mol
- Monoisotopic mass
- 288.24531564
Names & identifiers
- Preferred name
- Myristophenone
- IUPAC
- 1-phenyltetradecan-1-one
- English name
- N-TETRADECANOPHENONE
- Molecular formula
- C20H32O
- Molecular weight
- 288.47
Names & synonyms
Tetradecanophenone4497-05-6MyristophenoneTridecyl phenyl ketone1-Tetradecanone, 1-phenyl-Phenyl Tridecyl KetoneKetone, phenyl tridecyl6Z2IU8420X1-Phenyl-1-tetradecanoneNSC-18795DTXSID0063496EINECS 224-790-3
Show more names
Tetradecanophenone >phenyl tridecyl ketone1-phenyl-1-tetradecanon
NSC 18795RefChem:819744DTXCID7040366224-790-31-phenyltetradecan-1-oneN-TETRADECANOPHENONEMFCD00008985Phenyl N-tridecyl ketone
Database identifiers
- CAS
4497-05-6- PubChem CID
- 78248
- DTXSID
DTXSID0063496- UNII
- 6Z2IU8420X
- EC Number
- 224-790-3
- Nikkaji
- J605J
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 13
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Melting point
- 46 · 46-52 °C(lit.)
- Boiling point
- 212 °C12 · 212 °C12 mm Hg(lit.)
- Density
- 0.9262 · 0.9262 (rough estimate)
- refractive index
- 1.488 · 1.4880 (estimate)
- Flash point
- 230 °F · >230 °F
- form
- powder to crystal
- color
- White to Almost white
- InChI
- InChI=1S/C20H32O/c1-2-3-4-5-6-7-8-9-10-11-15-18-20(21)19-16-13-12-14-17-19/h12-14,16-17H,2-11,15,18H2,1H3
- InChIKey
- LXUIUVLDNRQBQJ-UHFFFAOYSA-N
- SMILES
- C(C1=CC=CC=C1)(=O)CCCCCCCCCCCCC
- FDA UNII
- 6 Z2IU8420X · 6Z2IU8420X
- EPA Substance Registry System
- Tetradecanophenone (4497-05-6)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2914.39.9000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Tetradecanone, 1-phenyl-: INACTIVE
Applications
UsesSeparation of dodecanophenone (C18), tetradecanophenone (C20), hexadecanophenone (C22) and octadecanophenone has been achieved by hydrophobic interaction electrokinetic chromatography.
General DescriptionSeparation of dodecanophenone (C18), tetradecanophenone (C20), hexadecanophenone (C22) and octadecanophenone has been achieved by hydrophobic interaction electrokinetic chromatography.
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Compound notes
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