Basic information
- CAS
3535-24-8- Standard SMILES
CCOc1ccc(C(=O)OC)cc1OC- InChIKey
HVLQOCXAZMSAPT-UHFFFAOYSA-N- Molecular formula
- C11H14O4
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.08920892
Names & identifiers
- Preferred name
- Methyl 4-ethoxy-3-methoxybenzoate
- IUPAC
- methyl 4-ethoxy-3-methoxybenzoate
- English name
- METHYL 4-ETHOXY-3-METHOXYBENZOATE
- Molecular formula
- C11H14O4
- Molecular weight
- 210.23
Names & synonyms
Methyl 4-ethoxy-3-methoxybenzoate3535-24-8Benzoic acid, 4-ethoxy-3-methoxy-, methyl ester4-ethoxy-3-methoxybenzoic acid methyl esterSCHEMBL1015707Methyl4-ethoxy-3-methoxybenzoateMethyl 3-methoxy-4-ethoxybenzoatemethyl 4-ethoxy-3-methoxy-benzoateMethyl 4-ethoxy-3-methoxybenzoate #MFCD06203685AKOS016997099HS-3198
Show more names
DB-209366E89851F098780
Database identifiers
- CAS
3535-24-8- PubChem CID
- 592192
- Nikkaji
- J585.593D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 71 · 71-73 °C
- Boiling point
- 154 · 154-156 °C(Press: 4 Torr)
- Density
- 1.095 · 1.095±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
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
南京代盟化工有限公司02566880956 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
16 records
Compound notes
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