Ethyl 2,4-diethoxybenzoate
Basic information
- CAS
59036-89-4- Standard SMILES
CCOC(=O)c1ccc(OCC)cc1OCC- InChIKey
XCKIALVAGKRVNP-UHFFFAOYSA-N- Molecular formula
- C13H18O4
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.12050905
Names & identifiers
- Preferred name
- Ethyl 2,4-diethoxybenzoate
- IUPAC
- ethyl 2,4-diethoxybenzoate
- English name
- ETHYL 2,4-DIETHOXYBENZOATE
- Molecular formula
- C13H18O4
- Molecular weight
- 238.28
Names & synonyms
Ethyl 2,4-diethoxybenzoate59036-89-4Benzoic acid, 2,4-diethoxy-, ethyl esterDTXSID80342930RefChem:342221DTXCID70294010XCKIALVAGKRVNP-UHFFFAOYSA-NMFCD03427021Ethyl 2,4-diethoxybenzoate #Ethyl 2,4-diethoxybenzoate, 97%AKOS015889015SY521705
Show more names
RARECHEM AL BI 08202,4-diethoxyethyl benzoateEthyl 2,4-diethoxybenzoate 97%2,4-Diethoxybenzoic acid ethyl ester
G82781
Database identifiers
- CAS
59036-89-4- PubChem CID
- 585986
- DTXSID
DTXSID80342930- Nikkaji
- J144.298H
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
- 120 °C · 120 °C (lit.)
- Density
- 1.059 g/mL · 1.059 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.5195(lit.)
- Flash point
- 230 °F · >230 °F
- Specific Gravity
- 1.059 · 1.059
- InChI
- 1S/C13H18O4/c1-4-15-10-7-8-11(13(14)17-6-3)12(9-10)16-5-2/h7-9H,4-6H2,1-3H3
- InChIKey
- XCKIALVAGKRVNP-UHFFFAOYSA-N
- SMILES
- CCOC(=O)c1ccc(OCC)cc1OCC
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesEthyl 2,4-diethoxybenzoate is an ethyl ester of 2,4-diethoxybenzoic acid.
General DescriptionEthyl 2,4-diethoxybenzoate is an ethyl ester of 2,4-diethoxybenzoic acid.
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Compound notes
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