Ethyl-2,5-diethoxybenzoate
Basic information
- CAS
351002-97-6- Standard SMILES
CCOC(=O)c1cc(OCC)ccc1OCC- InChIKey
VTTHMKXCMAWQTF-UHFFFAOYSA-N- Molecular formula
- C13H18O4
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.12050905
Names & identifiers
- Preferred name
- Ethyl-2,5-diethoxybenzoate
- IUPAC
- ethyl 2,5-diethoxybenzoate
- English name
- Ethyl-2 5-diethoxybenzoate 97
- Molecular formula
- C13H18O4
- Molecular weight
- 238.28
Names & synonyms
Ethyl-2,5-diethoxybenzoateEthyl 2,5-diethoxybenzoate351002-97-6SCHEMBL3999898DTXSID70393375VTTHMKXCMAWQTF-UHFFFAOYSA-NEthyl-2,5-diethoxybenzoate, 97%AS-86853H55212Ethyl-2 5-diethoxybenzoate 97Benzoic acid, 2,5-diethoxy-, ethyl ester
Database identifiers
- CAS
351002-97-6- PubChem CID
- 3530990
- DTXSID
DTXSID70393375
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 303 · 303-304 °C(lit.)
- Density
- 1.054 g/mL · 1.054 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.5100(lit.)
- Flash point
- 230 °F · >230 °F
- WGK Germany
- 3 · 3
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
- wgk
- 3
Related reactions
1 records
Compound notes
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