4'-Phenoxyacetophenone

HCID 236783

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Basic information

CAS: 5031-78-7
Standard SMILES: CC(=O)c1ccc(Oc2ccccc2)cc1
InChIKey: DJNIFZYQFLFGDT-UHFFFAOYSA-N
Molecular formula: C14H12O2
Average molar mass: 212.24 g/mol
Monoisotopic mass: 212.08372962

Names & identifiers

Preferred name: 4'-Phenoxyacetophenone
IUPAC: 1-(4-phenoxyphenyl)ethanone
English name: 4'-Phenoxyacetophenone
Molecular formula: C14H12O2
Molecular weight: 212.24

Names & synonyms

4'-PhenoxyacetophenoneDTXSID60284900RefChem:506238DTXCID70236051627-422-35031-78-71-(4-Phenoxyphenyl)ethanone1-(4-phenoxyphenyl)ethan-1-one4-Phenoxyacetophenonep-Phenoxyacetophenone4-Acetyldiphenyl EtherEthanone, 1-(4-phenoxyphenyl)-

Show more names

SKL682METHYL-(4-PHENOXYP4'-Phenoxyacetopheno4'-Phenoxyacetophenone, 98+%Ethanone,1-(4-phenoxyphenyl)-

MFCD00008744NSC39658NSC-396581-(4-phenoxy-phenyl)-ethanone1-(4-Phenoxyphenyl)ethanone #4 inverted exclamation mark -PhenoxyacetophenoneCK2558EU-0066923

Database identifiers

CAS: 5031-78-7
PubChem CID: 236783
DTXSID: DTXSID60284900
UNII: 54RSP4ET5X
EC Number: 627-422-3
Nikkaji: J685.126F

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 223

Physicochemical properties

Melting point: 50 · 50-52 °C(lit.)
Boiling point: 200 °C12 · 200 °C12 mm Hg(lit.)
Density: 1.1035 · 1.1035 (rough estimate)
refractive index: 1.557 · 1.5570 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
form: Powder
color: Light yellow
Water Solubility: insoluble
BRN: 2049295 · 2049295
InChI: 1S/C14H12O2/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10H,1H3
InChIKey: DJNIFZYQFLFGDT-UHFFFAOYSA-N
SMILES: CC(=O)c1ccc(Oc2ccccc2)cc1
CAS DataBase Reference: 5031 · 5031-78-7(CAS DataBase Reference)
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29145090 · 29145090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.