3-Ethyl-4-methylpyridine

HCID 68254

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Substructure search Find similar structures

Basic information

CAS: 529-21-5
Standard SMILES: CCc1cnccc1C
InChIKey: JDQNYWYMNFRKNQ-UHFFFAOYSA-N
Molecular formula: C8H11N
Average molar mass: 121.18 g/mol
Monoisotopic mass: 121.08914935

Names & identifiers

Preferred name: 3-Ethyl-4-methylpyridine
IUPAC: 3-ethyl-4-methylpyridine
English name: 3-ETHYL-4-METHYLPYRIDINE
Molecular formula: C8H11N
Molecular weight: 121.18

Names & synonyms

3-Ethyl-4-methylpyridine529-21-53-Ethyl-4-picolinePyridine, 3-ethyl-4-methyl-UNII-4I7CCZ440O4I7CCZ440OEINECS 208-453-8NSC-62016AI3-16615.beta.-Ethyl-.gamma.-picolineDTXSID10601823-ETHYL-4-PICOLINE [MI]

Show more names

B-COLLIDINE3-ETHYL-G-PICOLINE3-Ethyl-γ-picoline4-Picoline, 3-ethyl-3-Ethyl-gamma-picoline

RefChem:93836beta-Ethyl-gamma-picolineDTXCID9041316InChI=1/C8H11N/c1-3-8-6-9-5-4-7(8)2/h4-6H,3H2,1-2HJDQNYWYMNFRKNQ-UHFFFAOYSA-Nbeta-Collidine4-Methyl-3-ethylpyridine.beta.-Collidine

Database identifiers

CAS: 529-21-5
PubChem CID: 68254
DTXSID: DTXSID1060182
UNII: 4I7CCZ440O
EC Number: 208-453-8
Nikkaji: J6.681H

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 80.6

Physicochemical properties

Melting point: 6 · 6-8C
Boiling point: 195 · 195-196°C
Density: 0 · 0,936g/cm
refractive index: 1 · 1,465
Flash point: 195 · 195-196°C
storage temp.: 2 · 2-8°C
pka: 6.25 · 6.25±0.18(Predicted)
LogP: 2.18 · 2.180 (est)
CAS DataBase Reference: 529 · 529-21-5(CAS DataBase Reference)
FDA UNII: 4 I7CCZ440O · 4I7CCZ440O
EPA Substance Registry System: 3 · Pyridine, 3-ethyl-4-methyl- (529-21-5)
Symbol(GHS): 6 · GHS06
Signal word: Warning
Hazard statements: 301 · H301-H315-H319-H335
Precautionary statements: 261 · P261-P280a-P301+P310a-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
RIDADR: 1760 · 1760
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Pyridine, 3-ethyl-4-methyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Safety data

tsca: TSCA listed
ridadr: 1760
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS06
hazard_code: Xi
safety_code: 26-36/37/39-36
hazard_class: 8
packing_group: III
Hazard statements: H301-H315-H319-H335
Precautionary statements: P261-P280a-P301+P310a-P305+P351+P338-P405-P501a

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPyridine, 3-ethyl-4-methyl-: INACTIVE

Applications · 1 item

DescriptionThis alkyl-substituted Pyridine has been suggested for usc in perfume compositions of the non-floral character. It blends excellently with Oakmoss and Vetiver, the earthy-mossy notes of which it will support and modify in a pleasant manner, and it produces new shades of Fougere with Amylsalicylate, Cedarwood, Lavender, Amylvinylcarbinol etc.