2-Methoxy-1-phenylethanone

HCID 77698CAS 4079-52-1

Substructure search Find similar structures

Basic information

Standard SMILES: COCC(=O)c1ccccc1
InChIKey: YRNDGUSDBCARGC-UHFFFAOYSA-N
Molecular formula: C9H10O2
Average molar mass: 150.17 g/mol
Monoisotopic mass: 150.06807956

Overview

2-methoxyacetophenone is an alpha-oxyketone and an aromatic ketone. It is functionally related to an acetophenone.

Names & identifiers

Preferred name: 2-Methoxy-1-phenylethanone
IUPAC: 2-methoxy-1-phenylethanone
English name: 2-Methoxyacetophenone
Molecular formula: C9H10O2
Molecular weight: 150.17

Names & synonyms

2-Methoxyacetophenone4079-52-12-methoxy-1-phenylethanone2-methoxy-1-phenylethan-1-onealpha-MethoxyacetophenoneEthanone, 2-methoxy-1-phenyl-AI3-07623Y4V7A57H8FNSC-354NSC-227212CHEBI:52400DTXSID90193778

Show more names

1-METHOXYACETOPHENONEALPHA-METHOXY ACETOPHENONE(Methoxymethyl)phenyl ketone

RefChem:1063560DTXCID30116269223-802-4methoxyacetophenoneAcetophenone, 2-methoxy-MFCD000084992-methoxy-1-phenyl-ethanone2-methoxy acetophenone

Database identifiers

CAS: 4079-52-1
PubChem CID: 77698
DTXSID: DTXSID90193778
ChEBI: CHEBI:52400
UNII: Y4V7A57H8F
EC Number: 223-802-4
Nikkaji: J149.907F

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 126

Physicochemical properties

Melting point: 7 · 7-8 °C (lit.)
Boiling point: 122 · 122-123 °C/18 mmHg (lit.)
Density: 1.09 g/mL · 1.09 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.5365(lit.)
Flash point: 215 °F · 215 °F
storage temp.: Inert atmosphere,Room Temperature
form: liquid
Specific Gravity: 1.09 · 1.090
Appearance: Colorless to light yellow Liquid
InChI: 1S/C9H10O2/c1-11-7-9(10)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey: YRNDGUSDBCARGC-UHFFFAOYSA-N
SMILES: COCC(=O)c1ccccc1
CAS DataBase Reference: 4079 · 4079-52-1(CAS DataBase Reference)
FDA UNII: 4 V7A57H8F · Y4V7A57H8F
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
PPE: Eyeshields, Gloves
WGK Germany: 3 · 3
Storage Class: 10 · 10 - Combustible liquids

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)

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