1-(4-(2-Phenylethyl)phenyl)ethan-1-one
Basic information
- CAS
785-78-4- 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 Ų
- 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
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
Chemistry & industry
Applications
Uses4-Acetylbibenzyl is a useful research intermediate for organic synthesis.
Related reactions
4 records
Compound notes
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