2'-Methoxyacetophenone

HCID 68481
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Substructure searchFind similar structures

Basic information

CAS
579-74-8
Standard SMILES
COc1ccccc1C(C)=O
InChIKey
DWPLEOPKBWNPQV-UHFFFAOYSA-N
Molecular formula
C9H10O2
Average molar mass
150.17 g/mol
Monoisotopic mass
150.06807956

Overview

structure in first source

Names & identifiers

Preferred name
2'-Methoxyacetophenone
IUPAC
1-(2-methoxyphenyl)ethanone
English name
2'-Methoxyacetophenone
Molecular formula
C9H10O2
Molecular weight
150.17

Names & synonyms

2'-Methoxyacetophenone579-74-82-Acetylanisoleo-MethoxyacetophenoneEthanone, 1-(2-methoxyphenyl)-Acetophenone, 2'-methoxy-0WYN389I4N2-METHOXYPHENYL METHYL KETONENSC-23387DTXSID8060375FEMA NO. 4163RefChem:87892
Show more names
2-ACETANISOLE2-[2-(4’2-ACETOANISOLEAKOS BBS-00003280
DTXCID10422811-(2-Methoxyphenyl)ethanoneo-Acetylanisole1-(2-Methoxyphenyl)ethan-1-oneo-Acetanisole2-AcetoanisoleMFCD000087252-Methyoxyacetophenone oxime

Database identifiers

CAS
579-74-8
PubChem CID
68481
DTXSID
DTXSID8060375
ChEMBL
CHEMBL5280089
UNII
0WYN389I4N
EC Number
209-446-2
Nikkaji
J150.134H

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
11

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP · 2 items

1.82

1.82

Density1.088-1.092
Flavoring AgentsEU Flavoring substances
Solubility · 2 items

Practically insoluble or insoluble in water

Soluble (in ethanol)

Boiling Point · 2 items

245.00 to 248.00 °C. @ 760.00 mm Hg

245-248 °C

Physicochemical properties

Melting point
117 · 117–119°C
Boiling point
131 °C18 · 131 °C18 mm Hg(lit.)
Density
1.09 g/mL · 1.09 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.5393(lit.)
FEMA
4163 · 4163 | 2-METHOXYACETOPHENONE
FLAVIS Number
7.254 · 07.254 | 2-Methoxy-acetophenone

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Ethanone, 1-(2-methoxyphenyl)-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk
3
tsca
TSCA listed
hs_code
29145000
risk_code
22-36/38-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Pharmacology

Metabolism/Metabolites2'-methoxyacetophenone has known human metabolites that include 2'-Hydroxyacetophenone.
Cellular LocationsCytoplasm

Uses & manufacturing

Use ClassificationFlavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationEthanone, 1-(2-methoxyphenyl)-: ACTIVE

Applications

Uses2''-Methoxyacetophenone is a useful building block, often used in the preparation of chalcones, such as the chalcones of 3-benzylidene-2-chlorocyclohex-1-enecarbaldehyde for use as potential anti-proliferative agents.

Preparation methods

PreparationPreparation by reaction of dimethyl sulfate with o-hydroxyacetophenone in the presence of sodium hydroxide.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Related reactions

34 records
New reaction record

Compound notes

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