Ethyl 3,4-diethoxybenzoate
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Basic information
- CAS
75332-44-4- Standard SMILES
CCOC(=O)c1ccc(OCC)c(OCC)c1- InChIKey
UWWIFSJMLYCVGX-UHFFFAOYSA-N- Molecular formula
- C13H18O4
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.12050905
Names & identifiers
- Preferred name
- Ethyl 3,4-diethoxybenzoate
- IUPAC
- ethyl 3,4-diethoxybenzoate
- English name
- 3,4-DIETHOXYBENZOIC ACID ETHYL ESTER
- Molecular formula
- C13H18O4
- Molecular weight
- 238.28
Names & synonyms
Ethyl 3,4-diethoxybenzoate75332-44-4Benzoic acid, 3,4-diethoxy-, ethyl esterDTXSID10342983RefChem:343031DTXCID00294063UWWIFSJMLYCVGX-UHFFFAOYSA-N3,4-Diethoxybenzoic acid ethyl esterMFCD01076355Ethyl 3,4-diethoxybenzoate #SCHEMBL1011945AKOS005834453
Show more names
RARECHEM AL BI 02513,4-DIETHOXYETHYLBENZOATE
BS-50564SY316748D83130FT-0614267FE70944CS-0151509F692646
Database identifiers
- CAS
75332-44-4- PubChem CID
- 586407
- DTXSID
DTXSID10342983- Nikkaji
- J144.297J
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- 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
- Melting point
- 54 · 54-58 °C(lit.)
- Boiling point
- 331.4 · 331.4±22.0 °C(Predicted)
- Density
- 1.059 · 1.059±0.06 g/cm3(Predicted)
- Flash point
- 230 °F · 230 °F
- storage temp.
- Sealed in dry,Room Temperature
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
7 records
Compound notes
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