Basic information
- CAS
22027-50-5- Standard SMILES
COC(=O)C(=O)Cc1ccc(OC)cc1- InChIKey
YFKAHHRRSJDIOX-UHFFFAOYSA-N- Molecular formula
- C11H12O4
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.07355886
Overview
Methyl 3-(4-methoxyphenyl)-2-oxopropanoate is a 2-oxo monocarboxylic acid. It is functionally related to a pyruvic acid.
Names & identifiers
- Preferred name
- Methyl 3-(4-methoxyphenyl)-2-oxopropanoate
- IUPAC
- methyl 3-(4-methoxyphenyl)-2-oxopropanoate
- English name
- Methyl 3-(4-methoxyphenyl)-3-oxopropionate
- Molecular formula
- C11H12O4
- Molecular weight
- 208.21
Names & synonyms
methyl 3-(4-methoxyphenyl)-2-oxopropanoate69882-69-5SCHEMBL76420203-(4-Methoxyphenyl)-3-oxopropanoic acid, methyl esterCHEBI:173183YFKAHHRRSJDIOX-UHFFFAOYSA-NDTXSID301376841methyl 3-(4-methoxyphenyl)pyruvateMFCD10698696AKOS015915263Methyl 4-methoxy-beta-oxobenzenepropionateSY338884
Show more names
METHYL 3-(4-METHOXYPHENYL)-3-OXOPROPANOATEEINECS 244-732-0CBI-BB ZERO/004684MTHYL4-METHOXYBENZOYLACETATEMETHY 4-METHOXYBENZOYLACETATEMETHYL 4-METHOXYBENZOYLACETATEMethyl 4-methoxy-β-oxobenzenepropanoateMethyl-3-(p-methoxyphenyl)-3-oxopropionatMethyl 3-(4-methoxyphenyl)-3-oxopropionatemethyl 3-(p-methoxyphenyl)-3-oxopropionate
Methyl 3-(4-methoxyphenyl)-2-oxopropanoate #EN300-256199004-Hydroxyphenylpyruvic acid, methyl ether, methyl ester
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 40 · 40-42°C
- Boiling point
- 135 °C/0.27mm · 135°C/0.27mm
- Density
- 1.147 · 1.147±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 10.31 · 10.31±0.25(Predicted)
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 22027 · 22027-50-5(CAS DataBase Reference)
- EPA Substance Registry System
- 4 · Methyl 4-methoxy-.beta.-oxobenzenepropionate (22027-50-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers58 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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