Basic information
- CAS
536-78-7- Standard SMILES
CCc1cccnc1- InChIKey
MFEIKQPHQINPRI-UHFFFAOYSA-N- Molecular formula
- C7H9N
- Average molar mass
- 107.15 g/mol
- Monoisotopic mass
- 107.07349929
Overview
3-Ethylpyridine is a member of pyridines.
Names & identifiers
- Preferred name
- 3-Ethylpyridine
- IUPAC
- 3-ethylpyridine
- English name
- 3-Ethylpyridine
- Molecular formula
- C7H9N
- Molecular weight
- 107.15
Names & synonyms
3-ETHYLPYRIDINE536-78-7Pyridine, 3-ethyl-beta-EthylpyridineFEMA No. 3394A25I3EZ88VDTXSID6060212RefChem:93868DTXCID6041478208-647-23-Ethyl pyridine3-Ethyl-pyridine
Show more names
FEMA 33943-ethyl-pyridin3-ethvlpvridineFEMA NUMBER 33943-Ethylpyridine>3-ETHYLPYRIDINE 98+%3-ETHYLPYRIDIN 98%(GC)
MFCD000064135-EthylpyridineNicotinic Acid Impurity 12beta-LutidineLutidine, beta-UNII-A25I3EZ88VEINECS 208-647-2151103-56-9
Database identifiers
- CAS
536-78-7- PubChem CID
- 10823
- DTXSID
DTXSID6060212- ChEMBL
CHEMBL23025- ChEBI
CHEBI:169025- UNII
- A25I3EZ88V
- EC Number
- 208-647-2
- Nikkaji
- J15.069J
Properties
Computed structural properties
- XLogP
- 1.7
- 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
- 61.4
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (3-Ethylpyridine) -> IFRA transparency List
LogP
1.66
1.66
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.951-0.957
Flavoring AgentsEU Flavoring substances
Solubility
370 mg/mL at 196 °C
Soluble in ether; Slightly soluble in water
Soluble (in ethanol)
Boiling Point
166.00 °C. @ 762.00 mm Hg
166 °C
Melting Point-76.9 °C
Refractive Index1.499-1.505
Physical Description
Liquid
Colourless to brownish liquid; Tobacco aroma
Physicochemical properties
- Melting point
- -77 °C · -77 °C
- Boiling point
- 163 · 163-166 °C (lit.)
- Density
- 0.954 g/mL · 0.954 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.502(lit.)
- FEMA
- 3394 · 3394 | 3-ETHYLPYRIDINE
- FLAVIS Number
- 14.061 · 14.061 | 3-Ethylpyridine
- Flash point
- 120 °F · 120 °F
- solubility
- alcohol: freely soluble
- form
- clear liquid
- pka
- 1 · pK1:5.80(+1) (20°C)
- color
- Colorless to Almost colorless
- Specific Gravity
- 0.954 · 0.954
- Odor
- 0.1 % · at 0.10 % in dipropylene glycol. tobacco oakmoss leather
- Odor Type
- tobacco
- biological source
- synthetic
- Water Solubility
- 270.1 g/L · 270.1g/L(196 ºC)
- Sensitive
- Hygroscopic
- Merck
- 14 · 14,3848
- JECFA Number
- 1315 · 1315
- BRN
- 106479 · 106479
- Henry's Law Constant
- 9.5 · 9.5×10-1 mol/(m3Pa) at 25℃, Andon et al. (1954)
- Stability
- Stable. Flammable. Incompatible with strong oxidizing agents, strong acids. May be moisture sensitive.
- Cosmetics Ingredients Functions
- PERFUMING
- InChI
- 1S/C7H9N/c1-2-7-4-3-5-8-6-7/h3-6H,2H2,1H3
- InChIKey
- MFEIKQPHQINPRI-UHFFFAOYSA-N
- SMILES
- CCc1cccnc1
- LogP
- 1.66 · 1.66
- CAS DataBase Reference
- 536 · 536-78-7(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- 3 · 3-ETHYLPYRIDINE
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 25 I3EZ88V · A25I3EZ88V
- NIST Chemistry Reference
- 3 · 3-(C2H5)-pyridine(536-78-7)
- EPA Substance Registry System
- 3 · 3-Ethylpyridine (536-78-7)
- 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,C
- Risk Statements
- 10 · 10-36/37/38-34-23/24/25
- Safety Statements
- 16 · 16-26-36/37-45-36/37/39
- RIDADR
- 1993 · UN 1993 3/PG 3
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29333990 · 29333990
- 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
Warning
H226 (11.4%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1451 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Pyridine, 3-ethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Pyridine, 3-ethyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Pyridine, 3-ethyl-: Human health tier I assessment
Hazard Classes and CategoriesFlam. Liq. 3 (11.4%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29333990
- risk_code
- 10-36/37/38-34-23/24/25
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi,C
- safety_code
- 16-26-36/37-45-36/37/39
- 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
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationPyridine, 3-ethyl-: ACTIVE
Applications
OccurrenceReported found in coffee, beer, whiskey, roasted chicken, tea, oatmeal, clams, shrimp and squid, cooked chicken, dried bonito, krill, and Virginia tobacco.
Uses3-Ethylpyridine was used to to identify the toxicants in cigarette smoke solutions and to determine their effective doses using in vitro bioassays.
General Description3-Ethylpyridine is a constituent of cigarette smoke.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
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Additional notes
DefinitionChEBI: 3-Ethylpyridine is a member of pyridines.
Related reactions
13 records
Compound notes
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