CAS 3612-18-8 1-Ethylpiperidin-4-one (HCID 77159)

Names & identifiers

Preferred name: 1-Ethylpiperidin-4-one
IUPAC: 1-ethylpiperidin-4-one
English name: 1-Ethyl-4-piperidone
Molecular formula: C7H13NO
Molecular weight: 127.18

Names & synonyms

1-Ethyl-4-piperidone1-Ethylpiperidin-4-oneN-ethyl-4-piperidone1-Ethyl-4-piperidinoneEINECS 222-781-91-ethyl-4-oxopiperidineNDD4A44NG2DTXSID70189694RefChem:75777DTXCID30112185222-781-9BDVKAMAALQXGLM-UHFFFAOYSA-N

Show more names

Ethyl 1-piperidone1-ethyl-4-piperodone4-Piperidinone,1-ethyl-1-Ethyl-4-piperidone>

3612-18-84-Piperidinone, 1-ethyl-MFCD000133561-ethyl-piperidin-4-oneN-ethylpiperid-4-oneUNII-NDD4A44NG21-(ethyl)piperidin-4-oneSCHEMBL124152

Database identifiers

CAS: 3612-18-8
PubChem CID: 77159
DTXSID: DTXSID70189694
UNII: NDD4A44NG2
EC Number: 222-781-9
Nikkaji: J205.539B

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 101

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 30 · 30-32C
Boiling point: 46 · 46-48 °C1 mm Hg(lit.)
Density: 0.944 g/mL · 0.944 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.464(lit.)
Flash point: 156 °F · 156 °F
storage temp.: 2 · 2-8°C
pka: 8.1 · 8.10±0.20(Predicted)
form: clear liquid
color: Colorless to Light orange to Yellow
Specific Gravity: 0.944 · 0.944
Water Solubility: Miscible in water.
BRN: 107533 · 107533
InChI: 1S/C7H13NO/c1-2-8-5-3-7(9)4-6-8/h2-6H2,1H3
InChIKey: BDVKAMAALQXGLM-UHFFFAOYSA-N
SMILES: CCN1CCC(=O)CC1
CAS DataBase Reference: 3612 · 3612-18-8(CAS DataBase Reference)
FDA UNII: 4 A44NG2 · NDD4A44NG2
NIST Chemistry Reference: 1 · 1-Ethyl-4-piperidone(3612-18-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227
Precautionary statements: 210 e-P280a-P370+P378a-P403+P235-P501a · P210e-P280a-P370+P378a-P403+P235-P501a
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Hazard Codes: C,Xi
Risk Statements: 34 · 34-36/37/38
Safety Statements: 45 · 45-36/37/39-26-36
WGK Germany: 3 · 3
F: 10 · 10
Hazard Note: Irritant
HS Code: 29333990 · 29333990
Storage Class: 10 · 10 - Combustible liquids
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H227 (50%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 4 (50%)

Safety data

F: 10
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
hs_code: 29333990
risk_code: 34-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: C,Xi
hazard_note: Irritant
safety_code: 45-36/37/39-26-36
Storage Class: 10 - Combustible liquids
Hazard statements: H227
REACH Registrations: Active
Precautionary statements: P210e-P280a-P370+P378a-P403+P235-P501a