CAS 24845-40-7 2-(4-Methoxyphenyl)-1-phenylethan-1-one (HCID 231092)

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Basic information

CAS: 24845-40-7
Standard SMILES: COc1ccc(CC(=O)c2ccccc2)cc1
InChIKey: JABKESJVYSQBGF-UHFFFAOYSA-N
Molecular formula: C15H14O2
Average molar mass: 226.27 g/mol
Monoisotopic mass: 226.09937969

Names & identifiers

Preferred name: 2-(4-Methoxyphenyl)-1-phenylethan-1-one
IUPAC: 2-(4-methoxyphenyl)-1-phenylethanone
English name: NSC26657
Molecular formula: C15H14O2
Molecular weight: 226.27

Names & synonyms

2-(4-methoxyphenyl)-1-phenylethan-1-oneRefChem:457920858-303-62-(4-Methoxyphenyl)acetophenone24845-40-72-(4-Methoxyphenyl)-1-phenylethanoneEthanone, 2-(4-methoxyphenyl)-1-phenyl-MFCD000962942-(4-methoxyphenyl)-1-phenyl-ethanoneNSC266571-Phenyl-2-(4-methoxyphenyl)ethanone4-Methoxy-2-Phenylacetophenone

Show more names

4'-MethoxydeoxybenzoinPhenyl-anisyl-keton2-(4-methoxy-phenyl)-1-phenyl-ethanone4-methoxyphenylacetophenone4-Methoxybenzyl phenyl ketoneSCHEMBL5710632-(p-Methoxyphenyl)acetophenoneDTXSID60282582

Database identifiers

CAS: 24845-40-7
PubChem CID: 231092
DTXSID: DTXSID60282582
EC Number: 858-303-6
Nikkaji: J570.782J

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 235

Physicochemical properties

Melting point: 68 °C · 68 °C
Boiling point: 200 · 200-220 °C(Press: 8 Torr)
Density: 1.1 · 1.100±0.06 g/cm3(Predicted)
solubility: soluble in Chloroform, Dichloromethane
form: Solid
color: White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P