Benzoic acid, 2-ethoxy-, ethyl ester

HCID 221644

Notes Reactions

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Basic information

CAS: 6290-24-0
Standard SMILES: CCOC(=O)c1ccccc1OCC
InChIKey: OUZCDRGUTZLAGO-UHFFFAOYSA-N
Molecular formula: C11H14O3
Average molar mass: 194.23 g/mol
Monoisotopic mass: 194.09429431

Names & identifiers

Preferred name: Benzoic acid, 2-ethoxy-, ethyl ester
IUPAC: ethyl 2-ethoxybenzoate
English name: Ethyl 2-ethoxybenzoate
Molecular formula: C11H14O3
Molecular weight: 194.23

Names & synonyms

Ethyl 2-ethoxybenzoate6290-24-0DTXSID202781832-ethoxy benzoic acid ethyl esterBenzoic acid, 2-ethoxy-, ethyl esterRefChem:326859DTXCID10229341613-104-1OUZCDRGUTZLAGO-UHFFFAOYSA-N2-Ethoxybenzoic Acid Ethyl EsterMFCD00142907Ethyl 2-Ethoxy-benzoate

Show more names

RARECHEM AL BI 0028Ethyl2-Ethoxybenzoate>Methisosildenafil Impurity 2O-ethoxy benzoic acid ethyl ester1-(3,4-dihydro-2H-quinolin-1-yl)-3-(dipentylamino)-2-propanol

Ethyl 2-ethoxybenzoate #SCHEMBL536025SCHEMBL1810786SCHEMBL5178794NSC6584NSC 6584NSC-6584AKOS008948359

Database identifiers

CAS: 6290-24-0
PubChem CID: 221644
DTXSID: DTXSID20278183
EC Number: 613-104-1
Nikkaji: J256.545E

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 179

Physicochemical properties

Boiling point: 251 °C · 251 °C
Density: 1 · 1,07 g/cm3
refractive index: 1.509 · 1.5090-1.5130
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Light yellow to Light orange
CAS DataBase Reference: 6290 · 6290-24-0(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes: Xi
Risk Statements: 36 · 36
Safety Statements: 26 · 26
HS Code: 2918999090 · 2918999090
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 13-04-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32329

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2918999090
risk_code: 36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26
Hazard statements: H302-H315
REACH Registrations: Active
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362