Propanenitrile, 3-ethoxy-

HCID 16501

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 14631-45-9
Standard SMILES: CCOCCC#N
InChIKey: DCWQZPJHHVLHSV-UHFFFAOYSA-N
Molecular formula: C5H9NO
Average molar mass: 99.13 g/mol
Monoisotopic mass: 99.06841391

Names & identifiers

Preferred name: Propanenitrile, 3-ethoxy-
IUPAC: 3-ethoxypropanenitrile
English name: 3-Ethoxypropionitrile
Molecular formula: C5H9NO
Molecular weight: 99.13

Names & synonyms

3-Ethoxypropanenitrile2141-62-0Propanenitrile, 3-ethoxy-Propionitrile, 3-ethoxy-beta-Ethoxypropionitrile3-Ethoxypropiononitrilebeta-Aethoxypropionitril [German]NSC 7767EINECS 218-393-4BRN 0741924beta-AethoxypropionitrilAI3-25450

Show more names

EOPN3-EOPNNsc7767β-ethoxypropionitrile3-Ethoxypropionitride3-ethoxy-propanenitril

DTXSID0051861RefChem:869110DTXCID9030418Propionitrile, 3-ethoxy-(8CI)218-393-4InChI=1/C5H9NO/c1-2-7-5-3-4-6/h2-3,5H2,1H3-ETHOXYPROPIONITRILE3-ethoxy-propionitrile

Database identifiers

CAS: 14631-45-9、2141-62-0
PubChem CID: 16501
DTXSID: DTXSID0051861
UNII: 44GGF9EW57
EC Number: 218-393-4
Nikkaji: J121.233H

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 33 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 7
Formal charge: 0
Complexity: 71.4

Experimental & physicochemical properties

SpringerMaterials PropertiesFusion temperature

Physicochemical properties

Melting point: 48.9 °C · 48.9 °C
Boiling point: 171 °C · 171°C
Density: 0.894 · 0.894
refractive index: 1.4075 · 1.4075
Flash point: 64 °C · 64°C
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Light yellow
BRN: 741924 · 741924
CAS DataBase Reference: 2141 · 2141-62-0(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
NIST Chemistry Reference: 2 H5CH · C2H5CH(OC2H5)CH2CN(2141-62-0)
EPA Substance Registry System: 3 · Propanenitrile, 3-ethoxy- (2141-62-0)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H227-H335
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P210e-P261-P280a-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36/37/39-36-37
RIDADR: 3276 · 3276
RTECS: 4680000 · TZ4680000
TSCA: TSCA listed
HS Code: 29269090 · 29269090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H227 (16.7%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Peroxide Forming Chemical · 3 items

3-Ethoxypropionitrile

D: Other compounds that may form peroxides

Kelly

Hazard Classes and CategoriesFlam. Liq. 4 (16.7%)

Safety data

tsca: TSCA listed
rtecs: TZ4680000
ridadr: 3276
hs_code: 29269090
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39-36-37
Hazard statements: H315-H319-H227-H335
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P210e-P261-P280a-P305+P351+P338-P405-P501a