O-Ethylacetanilide

HCID 36332

Notes Reactions

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Basic information

CAS: 33098-65-6
Standard SMILES: CCc1ccccc1NC(C)=O
InChIKey: ZXOVAGUQXNXKHF-UHFFFAOYSA-N
Molecular formula: C10H13NO
Average molar mass: 163.22 g/mol
Monoisotopic mass: 163.09971404

Names & identifiers

Preferred name: O-Ethylacetanilide
IUPAC: N-(2-ethylphenyl)acetamide
English name: N1-(2-Ethylphenyl)acetamide
Molecular formula: C10H13NO
Molecular weight: 163.22

Names & synonyms

N-(2-ethylphenyl)acetamide2-Ethylacetanilide33098-65-6Acetamide, N-(2-ethylphenyl)-ACETANILIDE, 2'-ETHYL-O-EthylacetanilideNSC 64679BRN 2803427NSC-646792'-ETHYLACETANILIDE9831L636QBDTXSID00186757

Show more names

2’-ethyl-acetanilidLidocaine Impurity 412-EthylphenylacetamideLidocaine hydrochloride impurity893

4-12-00-02413 (Beilstein Handbook Reference)RefChem:855260DTXCID40109248Acetamide, N-(2-ethylphenyl)-(9CI)668-040-7N1-(2-ETHYLPHENYL)ACETAMIDEMFCD00034589NSC64679

Database identifiers

CAS: 33098-65-6
PubChem CID: 36332
DTXSID: DTXSID00186757
ChEMBL: CHEMBL531777
UNII: 9831L636QB
EC Number: 668-040-7
Nikkaji: J54.158C

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 156

Experimental & physicochemical properties

LogP1.33

Physicochemical properties

Melting point: 112 · 112-114°C
Boiling point: 320.2 · 320.2±21.0 °C(Predicted)
Density: 1.05 · 1.050±0.06 g/cm3(Predicted)
pka: 15.13 · 15.13±0.70(Predicted)
EWG's Food Scores: 1 · 1
FDA UNII: 9831 L636QB · 9831L636QB
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
HS Code: 2924297099 · 2924297099
Toxicity: 50 · mouse,LD50,oral,920mg/kg (920mg/kg),Toxicology and Applied Pharmacology. Vol. 19, Pg. 20, 1971.

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

hs_code: 2924297099
Toxicity: mouse,LD50,oral,920mg/kg (920mg/kg),Toxicology and Applied Pharmacology. Vol. 19, Pg. 20, 1971.
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
Hazard statements: H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P