Octanophenone

HCID 74291

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1674-37-9
Standard SMILES: CCCCCCCC(=O)c1ccccc1
InChIKey: UDEVCZRUNOLVLU-UHFFFAOYSA-N
Molecular formula: C14H20O
Average molar mass: 204.31 g/mol
Monoisotopic mass: 204.15141526

Names & identifiers

Preferred name: Octanophenone
IUPAC: 1-phenyloctan-1-one
English name: Octanophenone
Molecular formula: C14H20O
Molecular weight: 204.31

Names & synonyms

Octanophenone1674-37-91-Octanone, 1-phenyl-Heptyl phenyl ketoneCaprylophenonen-OctanophenoneKetone, heptyl phenylKQY234FG9LNSC-22009DTXSID5061871EINECS 216-817-2NSC 22009

Show more names

noctylacylbenzene1-phenyl-1-octanonn-Octanophenone>TIMTEC-BB SBB0083881-Phenyl-1-octanonePhenylheptyl ketone

UNII-KQY234FG9LRefChem:167824DTXCID0035378216-817-2UDEVCZRUNOLVLU-UHFFFAOYSA-N1-Phenyloctan-1-oneMFCD000035541-phenyl-octan-1-one

Database identifiers

CAS: 1674-37-9
PubChem CID: 74291
DTXSID: DTXSID5061871
UNII: KQY234FG9L
EC Number: 216-817-2
Nikkaji: J151.170J

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 7
Heavy atoms: 15
Formal charge: 0
Complexity: 168

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 21.5 · 21.5-23.5 °C(lit.)
Boiling point: 285 · 285-290 °C(lit.)
Density: 0.936 g/mL · 0.936 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.5044(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
form: Liquid
color: Clear colorless to slightly yellow
Water Solubility: Soluble in hot ethanol, acetone, toluene and other common organic solvents. Insoluble in water.
BRN: 1868534 · 1868534
InChI: InChI=1S/C14H20O/c1-2-3-4-5-9-12-14(15)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3
InChIKey: UDEVCZRUNOLVLU-UHFFFAOYSA-N
SMILES: C(C1=CC=CC=C1)(=O)CCCCCCC
CAS DataBase Reference: 1674 · 1674-37-9(CAS DataBase Reference)
FDA UNII: 234 FG9L · KQY234FG9L
EPA Substance Registry System: Octanophenone (1674-37-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Safety Statements: 23 · 23-24/25
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29143900 · 29143900
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (37 of 37) of all reports.

Not Classified

Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesNot Classified

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
tsca: TSCA listed
hs_code: 29143900
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 23-24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H302
Precautionary statements: P280-P305+P351+P338