4-Propylpyridine

HCID 70738

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Basic information

CAS: 1122-81-2
Standard SMILES: CCCc1ccncc1
InChIKey: JAWZAONCXMJLFT-UHFFFAOYSA-N
Molecular formula: C8H11N
Average molar mass: 121.18 g/mol
Monoisotopic mass: 121.08914935

Overview

4-Propylpyridine has been reported in Mentha arvensis with data available.

Names & identifiers

Preferred name: 4-Propylpyridine
IUPAC: 4-propylpyridine
English name: 4-Propylpyridine
Molecular formula: C8H11N
Molecular weight: 121.18

Names & synonyms

4-Propylpyridine1122-81-24-n-PropylpyridinePyridine, 4-propyl-0RAV2AQL8RNSC-967DTXSID0061531RefChem:100432DTXCID2033287214-360-3MFCD000146391-(4-pyridyl)propane

Show more names

4-propyl-pyridin4-PROPYL PYRIDINE4-Propylpyridine>PYRIDINE, 4-PROPYL-4-N-PROPYLPYLPYRIDINE2-propan-2-ylquinoline4-N-PROPYLPYRIDINE 97+%1-(Pyridin-4-yl)propane

4-propyl-pyridine4-n-propyl-pyridineNSC967NSC 967EINECS 214-360-3pyridine, 4-n-propyl-UNII-0RAV2AQL8RSCHEMBL40732

Database identifiers

CAS: 1122-81-2
PubChem CID: 70738
DTXSID: DTXSID0061531
UNII: 0RAV2AQL8R
EC Number: 214-360-3
Nikkaji: J45.580F

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 65

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

LogP2.1

Physicochemical properties

Melting point: -56.98 °C · -56.98°C (estimate)
Boiling point: 183 · 183-186°C
Density: 0.93 · 0.93
refractive index: 1.495 · 1.4950-1.4980
pka: 6.04 · 6.04±0.10(Predicted)
form: clear liquid
color: Colorless to Light yellow to Light orange
CAS DataBase Reference: 1122 · 1122-81-2(CAS DataBase Reference)
FDA UNII: 0 RAV2AQL8R · 0RAV2AQL8R
NIST Chemistry Reference: 4 · Pyridine, 4-propyl-(1122-81-2)
EPA Substance Registry System: 4 · 4-Propylpyridine (1122-81-2)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227-H315-H319
Precautionary statements: 210 · P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
Hazard Codes: Xi
Risk Statements: 10 · 10-36/37/38
Safety Statements: 16 · 16-26-36
RIDADR: 1993 · 1993
TSCA: TSCA listed
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

tsca: TSCA listed
ridadr: 1993
hs_code: 2933399990
risk_code: 10-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 16-26-36
Hazard statements: H227-H315-H319
Precautionary statements: P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501