Benzeneacetic acid, 3,4-dimethoxy-alpha-oxo-, ethyl ester

HCID 170290
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Basic information

CAS
40233-98-5
Standard SMILES
CCOC(=O)C(=O)c1ccc(OC)c(OC)c1
InChIKey
YBYLSOVTGVAJDY-UHFFFAOYSA-N
Molecular formula
C12H14O5
Average molar mass
238.24 g/mol
Monoisotopic mass
238.08412354

Names & identifiers

Preferred name
Benzeneacetic acid, 3,4-dimethoxy-alpha-oxo-, ethyl ester
IUPAC
ethyl 2-(3,4-dimethoxyphenyl)-2-oxoacetate
English name
ethyl 3,4-dimethoxyphenylglyoxylate
Molecular formula
C12H14O5
Molecular weight
238.24

Names & synonyms

40233-98-5EINECS 254-852-5Ethyl 3,4-dimethoxybenzoylcarboxylateDTXSID6068220Benzeneacetic acid, 3,4-dimethoxy-.alpha.-oxo-, ethyl esterBenzeneacetic acid, 3,4-dimethoxy-alpha-oxo-, ethyl esterRefChem:562851DTXCID9039739Ethyl 3,4-dimethoxyphenylglyoxylateethyl 2-(3,4-dimethoxyphenyl)-2-oxoacetateEthyl 3,4-dimethoxybenzoylformateMFCD06201710
Show more names
3,4-Dimethoxy-α-oxobenzeneacetic acid ethyl ester2-(3,4-Dimethoxyphenyl)glyoxylic acid ethyl esterBenzeneacetic acid, 3,4-dimethoxy-α-oxo-, ethyl ester
ethyl (3,4-dimethoxyphenyl)(oxo)acetateEthyl 3,4-dimethoxy-alpha-oxobenzeneacetateSCHEMBL2124837AKOS006021928Ethyl 3,4-dimethoxy-|A-oxobenzeneacetateDB-187193ethyl2-(3,4-dimethoxyphenyl)-2-oxoacetateCS-0332414

Database identifiers

CAS
40233-98-5
PubChem CID
170290
DTXSID
DTXSID6068220
EC Number
254-852-5
Nikkaji
J332.389G

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
61.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
17

Physicochemical properties

Melting point
184 °C · 184 °C
Boiling point
168 · 168-170 °C(Press: 0.5 Torr)
Density
1.159 · 1.159±0.06 g/cm3(Predicted)
EPA Substance Registry System
3 · Benzeneacetic acid, 3,4-dimethoxy-.alpha.-oxo-, ethyl ester (40233-98-5)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzeneacetic acid, 3,4-dimethoxy-.alpha.-oxo-, ethyl ester: INACTIVE

Upstream & downstream products

Suppliers12 total

安徽合诺生物科技有限公司0555-2761852
安徽合诺生物科技有限公司18455579438
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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