Ethyl 4-formylbenzoate

HCID 80498

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 6287-86-1
Standard SMILES: CCOC(=O)c1ccc(C=O)cc1
InChIKey: BHYVHYPBRYOMGC-UHFFFAOYSA-N
Molecular formula: C10H10O3
Average molar mass: 178.18 g/mol
Monoisotopic mass: 178.06299418

Names & identifiers

Preferred name: Ethyl 4-formylbenzoate
IUPAC: ethyl 4-formylbenzoate
English name: ethyl 4-formylbenzoate
Molecular formula: C10H10O3
Molecular weight: 178.18

Names & synonyms

Ethyl 4-formylbenzoate6287-86-1Benzoic acid, 4-formyl-, ethyl ester5DS86BZT5WEINECS 228-523-1NSC 12007NSC-12007ETHYL P-FORMYLBENZOATEDTXSID20212042RefChem:138769DTXCID20134533228-523-1

Show more names

p-(Ethoxycarbonyl)benzaldehydeTerephthaldehydic acid ethyl ester

BHYVHYPBRYOMGC-UHFFFAOYSA-NMFCD00460463Ethyl-4-formyl benzoateEthyl4-formylbenzoateEhtyl 4-formylbenzoateEthyl-4-formylbenzoateButafenacil Impurity 6p-Carbethoxybenzaldehyde

Database identifiers

CAS: 6287-86-1
PubChem CID: 80498
DTXSID: DTXSID20212042
UNII: 5DS86BZT5W
EC Number: 228-523-1
Nikkaji: J206.850H

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 181

Physicochemical properties

Melting point: 138 · 138-140 °C
Boiling point: 142 °C · 142 °C(Press: 13 Torr)
Density: 1.145 · 1.145±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Appearance: Colorless to light yellow Liquid
FDA UNII: 5 DS86BZT5W · 5DS86BZT5W
Symbol(GHS): 7 · GHS07,GHS02
Signal word: Danger
Hazard statements: 335 · H335-H336-H225
Precautionary statements: 501 · P501-P261-P240-P210-P233-P243-P241-P242-P271-P280-P370+P378-P303+P361+P353-P304+P340+P312-P403+P233-P403+P235-P405
HS Code: 2918300090 · 2918300090

Safety & regulation

Safety data

hs_code: 2918300090
Signal word: Danger
Symbol(GHS): GHS07,GHS02
Hazard statements: H335-H336-H225
Precautionary statements: P501-P261-P240-P210-P233-P243-P241-P242-P271-P280-P370+P378-P303+P361+P353-P304+P340+P312-P403+P233-P403+P235-P405