4-Ethylpyridine (HCID 10822)

Names & identifiers

Preferred name: 4-Ethylpyridine
IUPAC: 4-ethylpyridine
English name: 4-Ethylpyridine
Molecular formula: C7H9N
Molecular weight: 107.15

Names & synonyms

4-ETHYLPYRIDINE536-75-4Pyridine, 4-ethyl-.gamma.-EthylpyridineMFCD000064503KW0SE2TL5NSC-8224-Ethylpyridine; NSC 822; NSC 965; gamma-Ethylpyridine4-ethyl pyridine4-Ethyl-pyridine151103-55-84-(C2H5)-pyridine

Show more names

ETHYLPYRIDINE4-ethyl-pyridin4-ethvlpvridineg-Ethylpyridine4-ETHANOLPYRIDINE4-Ethylpyridine>Pyridine, 4-ethyl-GAMMA-ETHYLPYRIDINE4-Ethylpyridine,98%

4-Ethylpyridine, 98%Pyridine, 4-ethyl-, radical ion(1+) (9CI)SCHEMBL142084-ETHYLPYRIDINE [MI]CHEMBL22977SCHEMBL289086SCHEMBL289087SCHEMBL738655

Database identifiers

CAS: 536-75-4、71077-16-2
PubChem CID: 10822
DTXSID: DTXSID60873555
ChEMBL: CHEMBL22977
UNII: 3KW0SE2TL5
EC Number: 208-646-7
Nikkaji: J6.706G

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 55.4

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Pyridines

SpringerMaterials PropertiesBoiling point

Flavoring AgentsEU Flavoring substances

Vapor Pressure2.27 [mmHg]

Physical DescriptionLiquid with an obnoxious odor; Turns brown if not pure; [Merck Index] Colorless to pale yellow liquid with an unpleasant odor; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: -91 °C · -91 °C
Boiling point: 168 °C · 168 °C (lit.)
Density: 0.942 g/mL · 0.942 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.501(lit.)
FLAVIS Number: 14.116 · 14.116 | 4-Ethylpyridine
Flash point: 118 °F · 118 °F
storage temp.: Flammables area
solubility: 107 g/l · 107g/l
form: Liquid
pka: 1 · pK1:5.87(+1) (25°C)
color: Clear colorless to yellow
PH: 10 · 10 (100g/l, H2O, 20℃)
Water Solubility: 34 g/L · 34 g/L
Merck: 14 · 14,3849
BRN: 106481 · 106481
Henry's Law Constant: 1.2 · 1.2×100 mol/(m3Pa) at 25℃, Andon et al. (1954)
Dielectric constant: 10.98 · 10.98
InChI: 1S/C7H9N/c1-2-7-3-5-8-6-4-7/h3-6H,2H2,1H3
InChIKey: VJXRKZJMGVSXPX-UHFFFAOYSA-N
SMILES: CCc1ccncc1
LogP: 1.65 · 1.650
CAS DataBase Reference: 536 · 536-75-4(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 3 KW0SE2TL5 · 3KW0SE2TL5
NIST Chemistry Reference: 4 · 4-(C2H5)-pyridine(536-75-4)
EPA Substance Registry System: 4 · 4-Ethylpyridine (536-75-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H226
Precautionary statements: 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,Xn
Risk Statements: 10 · 10-36/37/38-20/21/22
Safety Statements: 26 · 26-36-36/37/39-16
RIDADR: 2924 · UN 2924 3/PG 3
WGK Germany: 3 · 3
F: 8 · 8
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29333999 · 29333999
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 159 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: Pyridine, 4-ethyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

4-Ethylpyridine: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummarySafe when used as a flavoring agent in food; [EFSA] A skin, respiratory tract, and strong eye irritant; Harmful by inhalation; [Alfa Aesar MSDS]

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

F: 8
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 2924 3/PG 3
hs_code: 29333999
risk_code: 10-36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi,Xn
safety_code: 26-36-36/37/39-16
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H315-H319-H226
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Precautionary statements: P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235

Chemistry & industry

Uses & manufacturing

UsesPresent in California petroleum; [Merck Index] Flavoring agent that naturally occurs in pork; [EFSA]

General Manufacturing InformationPyridine, 4-ethyl-: ACTIVE

Applications · 3 items

Uses4-Ethyl pyridine is used as a monomer in polymer chemistry.4-Ethylpyridine could find use in perfume compositions since it gives very interesting effects with Vetiver, Oakmoss, Hydroquinone dimethylether, Amylsalicylate, Coumarin, Lavender, etc., and in minute traces in certain florals, e.g. Hyacinth and Tuberose, also for “bouquetting” purposes in floral fragrances describing flowers from the floor of the woods, Muguet, Violet, etc. where the sweet-earthy, fungal notes can be applied artistically with pleasant effect.

Uses4-Ethylpyridine is used to study the influence of counter-anion concentration on analyte retention.

General Description4-Ethylpyridine undergoes metal-ligand interaction with Zn-porphyrin which can be studied by mass spectrometry.