Basic information
- CAS
330551-16-1- Standard SMILES
CCOC(=O)C(=O)c1cc(OC)cc(OC)c1- InChIKey
ZNRUMEIEXZJLTP-UHFFFAOYSA-N- Molecular formula
- C12H14O5
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.08412355
Names & identifiers
- Preferred name
- Ethyl (3,5-dimethoxyphenyl)(oxo)acetate
- IUPAC
- ethyl 2-(3,5-dimethoxyphenyl)-2-oxoacetate
- English name
- Ethyl 3,5-dimethoxybenzoylformate
- Molecular formula
- C12H14O5
- Molecular weight
- 238.24
Names & synonyms
330551-16-1DTXSID90641289Ethyl (3,5-dimethoxyphenyl)(oxo)acetateRefChem:593073DTXCID90592040ETHYL 3,5-DIMETHOXYBENZOYLFORMATEethyl 2-(3,5-dimethoxyphenyl)-2-oxoacetateMFCD09801406ETHYL3,5-DIMETHOXYBENZOYLFORMATESCHEMBL5514458ZNRUMEIEXZJLTP-UHFFFAOYSA-NAKOS016017085
Show more names
Benzeneacetic acid, 3,5-dimethoxy-α-oxo-, ethyl ester
DA-42781ethyl 2-(3,5-dimethoxyphenyl)-2-oxo-acetateH79527F200996
Database identifiers
- CAS
330551-16-1- PubChem CID
- 24722256
- DTXSID
DTXSID90641289- EC Number
- 109-539-7
- Nikkaji
- J2.307.997F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Boiling point
- 365.8 · 365.8±32.0 °C(Predicted)
- Density
- 1.159 · 1.159±0.06 g/cm3(Predicted)
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36
- Safety Statements
- 26 · 26
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]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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
- risk_code
- 22-36
- hazard_code
- Xn
- safety_code
- 26
Chemistry & industry
Suppliers6 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
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
9 records
Compound notes
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