1-(2,4-Dimethoxyphenyl)ethanone

HCID 70016CAS 829-20-9
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(C(C)=O)c(OC)c1
InChIKey
VQTDPCRSXHFMOL-UHFFFAOYSA-N
Molecular formula
C10H12O3
Average molar mass
180.2 g/mol
Monoisotopic mass
180.07864424

Overview

2,4-Dimethoxyacetophenone is an aromatic ketone.

Names & identifiers

Preferred name
1-(2,4-Dimethoxyphenyl)ethanone
IUPAC
1-(2,4-dimethoxyphenyl)ethanone
English name
2,4-Dimethoxyacetophenone
Molecular formula
C10H12O3
Molecular weight
180.2

Names & synonyms

2',4'-Dimethoxyacetophenone829-20-91-(2,4-dimethoxyphenyl)ethanone1-(2,4-Dimethoxyphenyl)ethan-1-oneEthanone, 1-(2,4-dimethoxyphenyl)-5ASM4Y5MBXEINECS 212-587-2NSC-466454-ACETYL-1,3-DIMETHOXYBENZENEAI3-10505VQTDPCRSXHFMOL-UHFFFAOYSA-DTXSID70232073
Show more names
AKOS BBS-000042352,4-Dimethoxyacetoph2,4'-Dimethoxyacetaphenone1-Acetyl-2,4-dimethoxybenzeneAcetophenone, 2',4'-dimethoxy-RESACETOPHENONE DIMETHYL ETHER
NSC 46645RefChem:420513DTXCID70154564212-587-2InChI=1/C10H12O3/c1-7(11)9-5-4-8(12-2)6-10(9)13-3/h4-6H,1-3H32,4-DimethoxyacetophenonePEONOL METHYL ETHERMFCD00008727

Database identifiers

CAS
829-20-9
PubChem CID
70016
DTXSID
DTXSID70232073
ChEMBL
CHEMBL3039420
ChEBI
CHEBI:167428
UNII
5ASM4Y5MBX
EC Number
212-587-2
Nikkaji
J60.317A

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
13

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point
37 · 37-40 °C(lit.)
Boiling point
288 °C · 288 °C(lit.)
Density
1.1272 · 1.1272 (rough estimate)
refractive index
1.543 · 1.5430 (estimate)
Flash point
230 °F · >230 °F
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29145090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Applications · 1 item

Uses2',4'-Dimethoxyacetophenone-d6 is an by-product in the synthesis of Paeonol-d3 (P133842). Paeonol-d3 is a labelled analogue of Paeonol (P133840), acting as a b-Secretase inhibitor an anti-apoptotic agent is used in the treatment of memory loss after ischemic stroke. Anti-inflammatory and analgesic.

Preparation methods

PreparationObtained by reaction of dimethyl sulfate with resacetophenone in the presence of 10% aqueous sodium hydroxide (61%).

Upstream & downstream products

Suppliers50 total

常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Additional notes

DefinitionChEBI: 2,4-Dimethoxyacetophenone is an aromatic ketone.

Related reactions

10 records
New reaction record

Linked notes

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