Basic information
- CAS
2042-85-5- Standard SMILES
CC(C(=O)c1ccccc1)c1ccccc1- InChIKey
CQLXSFDDEBUZQZ-UHFFFAOYSA-N- Molecular formula
- C15H14O
- Average molar mass
- 210.27 g/mol
- Monoisotopic mass
- 210.10446507
Names & identifiers
- Preferred name
- 1,2-Diphenylpropan-1-one
- IUPAC
- 1,2-diphenylpropan-1-one
- English name
- 1,2-diphenylpropan-1-one
- Molecular formula
- C15H14O
- Molecular weight
- 210.27
Names & synonyms
1,2-diphenylpropan-1-one2042-85-5DTXSID40285819RefChem:216172DTXCID702369701-Propanone, 1,2-diphenyl-1,2-diphenyl-1-propanone1,2-diphenyl-propan-1-oneNSC428972-phenylpropiophenoneSCHEMBL702447SCHEMBL5956858
Show more names
SCHEMBL6838801SCHEMBL17748950CQLXSFDDEBUZQZ-UHFFFAOYSA-NNSC-42897AKOS024322849HS-6100
Database identifiers
- CAS
2042-85-5- PubChem CID
- 238518
- DTXSID
DTXSID40285819- EC Number
- 688-863-5
- Nikkaji
- J513.868J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 59.5 · 59.5-59.6 °C
- Boiling point
- 185 · 185-187 °C(Press: 20 Torr)
- Density
- 1.057 · 1.057±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
苏州奥为光电新材料有限公司18913195221 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
Related reactions
21 records
Compound notes
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