CAS 2243-35-8 Ethanone, 2-(acetyloxy)-1-phenyl- (HCID 222851)

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Basic information

CAS: 2243-35-8
Standard SMILES: CC(=O)OCC(=O)c1ccccc1
InChIKey: BGAXCPSNMHVHJC-UHFFFAOYSA-N
Molecular formula: C10H10O3
Average molar mass: 178.18 g/mol
Monoisotopic mass: 178.06299418

Names & identifiers

Preferred name: Ethanone, 2-(acetyloxy)-1-phenyl-
IUPAC: phenacyl acetate
English name: Phenacyl acetate
Molecular formula: C10H10O3
Molecular weight: 178.18

Names & synonyms

2243-35-8Ethanone, 2-(acetyloxy)-1-phenyl-omega-Acetoxyacetophenone2-HydroxyacetophenoneacetateAcetophenone, 2-hydroxy-, acetateNSC 9837DTXSID20862889RefChem:592550DTXCID60811593Acetophenone, 2-hydroxy-, acetate (8CI)607-077-5AI3-10570

Show more names

HENACYLACETATEα-ACETOXY ACETOPHENONE2-ACETYLOXYACETOPHENONE2-Acetoxy-1-phenylethanonALPHA-ACETOXY ACETOPHENONE2-Acetoxy-1-phenylethanone

Phenacyl acetate2-Oxo-2-phenylethyl acetate2-Acetoxyacetophenone2-(acetyloxy)-1-phenylethanone.omega.-AcetoxyacetophenoneMFCD00026205alpha-Acetoxyacetophenonea-acetoxy acetophenone

Database identifiers

CAS: 2243-35-8
PubChem CID: 222851
DTXSID: DTXSID20862889
EC Number: 607-077-5
Nikkaji: J135.668B

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 192

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 48 · 48-50°C
Boiling point: 110 · 110-114°C 2mm
Density: 1.1169 · 1.1169
refractive index: 1.5036 · 1.5036 (estimate)
Flash point: 110 °C · >110°C
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
color: Beige
BRN: 1240545 · 1240545
CAS DataBase Reference: 2243 · 2243-35-8(CAS DataBase Reference)
NIST Chemistry Reference: Phenacylacetate(2243-35-8)
EPA Substance Registry System

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (90.7%)

Safety data

tsca: TSCA listed
ridadr: UN3077
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36
hazard_class: 9
packing_group: III
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanone, 2-(acetyloxy)-1-phenyl-: INACTIVE

Applications

Uses2-(Acetyloxy)-1-phenylethanone is used in the synthesis of enol phosphates. Also used in the preparation of triazole antifungals such as (-)-Genazonazole.