Ethyl 2-naphthoate

HCID 76363

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Basic information

CAS: 3007-91-8
Standard SMILES: CCOC(=O)c1ccc2ccccc2c1
InChIKey: HQKSINSCHCDMLS-UHFFFAOYSA-N
Molecular formula: C13H12O2
Average molar mass: 200.23 g/mol
Monoisotopic mass: 200.08372962

Names & identifiers

Preferred name: Ethyl 2-naphthoate
IUPAC: ethyl naphthalene-2-carboxylate
English name: Ethyl 2-naphthoate
Molecular formula: C13H12O2
Molecular weight: 200.23

Names & synonyms

Ethyl 2-naphthoateAI3-11104EINECS 221-119-6DTXSID10184143NSC 171216RefChem:594486DTXCID20106634221-119-63007-91-8ethyl naphthalene-2-carboxylateEthyl beta-naphthoate2-Naphthalenecarboxylic acid, ethyl ester

Show more names

AI311104AI3 11104Ethyl β-naphthoateETHYL B-NAPHTHOATERARECHEM AL BI 0094Azvudine Impurity 15Ethyl b-phthoate, 99%

beta-Naphthoic acid ethyl esterEthyl .beta.-naphthoateETHYL2-NAPHTHOATEMFCD00016811naphthalene-2-carboxylic acid ethyl ester2-Naphthalenecarboxylicacid, ethyl ester?-Naphthoic acid ethyl esterSCHEMBL294464

Database identifiers

CAS: 3007-91-8
PubChem CID: 76363
DTXSID: DTXSID10184143
ChEMBL: CHEMBL216881
EC Number: 221-119-6
Nikkaji: J191.467G

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 225

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Melting point: 32 °C · 32°C
Boiling point: 308 · 308-309°C
Density: 1.1143 · 1.1143
refractive index: 1.5951 · 1.5951 (estimate)
storage temp.: Store at room temperature
Appearance: Light yellow to light brown Solid
CAS DataBase Reference: 3007 · 3007-91-8(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H335-H319-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362