4-Ethylpyridine
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Basic information
- CAS
536-75-4- Standard SMILES
CCc1ccncc1- InChIKey
VJXRKZJMGVSXPX-UHFFFAOYSA-N- Molecular formula
- C7H9N
- Average molar mass
- 107.15 g/mol
- Monoisotopic mass
- 107.07349929
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.-Ethylpyridine4-(C2H5)-pyridineMFCD000064503KW0SE2TL5NSC-8224-Ethylpyridine; NSC 822; NSC 965; gamma-Ethylpyridine4-ethyl pyridine4-Ethyl-pyridine151103-55-8
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 propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 12.9 Ų
- 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
LogP1.65
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
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
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
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.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
103 records
Compound notes
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