Carbethyl salicylate
Basic information
- CAS
118-27-4- Standard SMILES
CCOC(=O)c1ccccc1OC(=O)Oc1ccccc1C(=O)OCC- InChIKey
QWWLHNFYJSCNGD-UHFFFAOYSA-N- Molecular formula
- C19H18O7
- Average molar mass
- 358.3 g/mol
- Monoisotopic mass
- 358.10525291
Names & identifiers
- Preferred name
- Carbethyl salicylate
- IUPAC
- ethyl 2-(2-ethoxycarbonylphenoxy)carbonyloxybenzoate
- English name
- diethyl 2,2'-[carbonylbis(oxy)]bisbenzoate
- Molecular formula
- C19H18O7
- Molecular weight
- 358.34
Names & synonyms
Carbethyl salicylate118-27-4Sal Ethyl carbonateEthyl salicylate carbonateCarbonic acid, diester with ethyl salicylateEF1UHZ6GA0MLS002637645NSC-2815ethyl 2-(2-ethoxycarbonylphenoxy)carbonyloxybenzoatediethyl 2,2'-[carbonylbis(oxy)]dibenzoateUNII-EF1UHZ6GA0EINECS 204-239-3
Show more names
Bis(2-ethoxycarbonylphenyl) =carbonatediethyl 2,2'-[carbonylbis(oxy)]bisbenzoateethyl2-(2-ethoxycarbonylphenoxy)carbonyloxybenzoate2,2'-[Carbonylbis(oxy)]bis(benzoic acid ethyl) esterBenzoic acid, 2-[[[2-(ethoxycarbonyl)phenoxy]carbonyl]oxy]-, ethyl ester
diethyl 2,2/'-[carbonylbis(oxy)]bisbenzoateCHEMBL242921SCHEMBL1283310NIOSH/FF9702500DTXSID50151990NSC2815HMS3091H13NSC 2815
Database identifiers
- CAS
118-27-4- PubChem CID
- 67039
- DTXSID
DTXSID50151990- ChEMBL
CHEMBL242921- UNII
- EF1UHZ6GA0
- EC Number
- 204-239-3
- Nikkaji
- J46.730H
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 448
Physicochemical properties
- Boiling point
- 479.9 · 479.9±30.0 °C(Predicted)
- Density
- 1.245 · 1.245±0.06 g/cm3(Predicted)
- FDA UNII
- 1 UHZ6GA0 · EF1UHZ6GA0
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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