Methyl 2-ethylbenzoate

HCID 583295

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Basic information

CAS: 50604-01-8
Standard SMILES: CCc1ccccc1C(=O)OC
InChIKey: KQQKFHNRMJHXLR-UHFFFAOYSA-N
Molecular formula: C10H12O2
Average molar mass: 164.2 g/mol
Monoisotopic mass: 164.08372962

Names & identifiers

Preferred name: Methyl 2-ethylbenzoate
IUPAC: methyl 2-ethylbenzoate
English name: 2-Ethylbenzoic acid
Molecular formula: C10H12O2
Molecular weight: 164.2

Names & synonyms

Methyl 2-ethylbenzoate50604-01-8Benzoic acid, 2-ethyl-, methyl esterDTXSID70342606RefChem:354251DTXCID90293686KQQKFHNRMJHXLR-UHFFFAOYSA-NBenzoic acid, ethyl-, methyl ester2-Ethylbenzoic acid methyl esterMFCD06203917Methyl2-ethylbenzoateethyl-benzoic acid methyl ester

Show more names

2-ethyl methyl benzoateMethyl 2-ethylbenzoate - [M72283]

Methyl o-ethylbenzoateMethyl 2-ethylbenzoate #SCHEMBL156281SCHEMBL5545357SCHEMBL8746157SCHEMBL14721446SCHEMBL16961137SCHEMBL21268184

Database identifiers

CAS: 50604-01-8
PubChem CID: 583295
DTXSID: DTXSID70342606
Nikkaji: J928.863E

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 154

Physicochemical properties

Boiling point: 243.9 · 243.9±19.0 °C(Predicted)
Density: 1.025 · 1.025±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
HS Code: 2916399090 · 2916399090