1-(4-(2-Phenylethyl)phenyl)ethan-1-one

HCID 69918CAS 785-78-4

Substructure search Find similar structures

Basic information

Standard SMILES: CC(=O)c1ccc(CCc2ccccc2)cc1
InChIKey: KIRXEYNVGWVPRO-UHFFFAOYSA-N
Molecular formula: C16H16O
Average molar mass: 224.3 g/mol
Monoisotopic mass: 224.12011513

Names & identifiers

Preferred name: 1-(4-(2-Phenylethyl)phenyl)ethan-1-one
IUPAC: 1-[4-(2-phenylethyl)phenyl]ethanone
English name: 4-Acetylbibenzyl
Molecular formula: C16H16O
Molecular weight: 224.3

Names & synonyms

4-Acetylbibenzyl785-78-41-[4-(2-Phenylethyl)phenyl]ethanone1-[4-(2-phenylethyl)phenyl]ethan-1-one1-(4-(2-Phenylethyl)phenyl)ethan-1-oneCW3P2K55C8Ethanone, 1-[4-(2-phenylethyl)phenyl]-EINECS 212-323-6Ethanone, 1-(4-(2-phenylethyl)phenyl)-DTXSID902291271-(4-(2-PHENYLETHYL)PHENYL)ETHANONERefChem:424308

Show more names

4-ACETYLBIBENZYL(WXG02447)1-(4-Acetylphenyl)-2-phenylethane1-[4-methyl-3-(2-methylphenyl)phenyl]ethanone

DTXCID10151618212-323-61-(4-phenethylphenyl)ethanone4'-phenethylacetophenone1-(4-Phenethylphenyl)ethan-1-oneMFCD00070637UNII-CW3P2K55C84-acetylbibenzyl, AldrichCPR

Database identifiers

CAS: 785-78-4
PubChem CID: 69918
DTXSID: DTXSID90229127
UNII: CW3P2K55C8
EC Number: 212-323-6
Nikkaji: J193.177F

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 232

Physicochemical properties

Melting point: 68 °C · 68 °C
form: solid
InChI: 1S/C16H16O/c1-13(17)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-12H,7-8H2,1H3
InChIKey: KIRXEYNVGWVPRO-UHFFFAOYSA-N
SMILES: CC(=O)c1ccc(CCc2ccccc2)cc1
FDA UNII: 3 P2K55C8 · CW3P2K55C8
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
WGK Germany: 3 · WGK 3
HazardClass: IRRITANT
HS Code: 2912290090 · 2912290090
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Ethanone, 1-[4-(2-phenylethyl)phenyl]-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: WGK 3
hs_code: 2912290090
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362