2-Propylpyridine
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Basic information
- CAS
622-39-9- Standard SMILES
CCCc1ccccn1- InChIKey
OIALIKXMLIAOSN-UHFFFAOYSA-N- Molecular formula
- C8H11N
- Average molar mass
- 121.18 g/mol
- Monoisotopic mass
- 121.08914935
Overview
2-Propylpyridine is a member of pyridines.
Names & identifiers
- Preferred name
- 2-Propylpyridine
- IUPAC
- 2-propylpyridine
- English name
- 2-n-Propylpyridine
- Molecular formula
- C8H11N
- Molecular weight
- 121.18
Names & synonyms
2-PropylpyridineConyrinePyridine, 2-propyl-1-(2-Pyridyl)propanePyridine, 1-propyl-UNII-3N6AX0B7PAPYRIDINE, 1-PROPYL3N6AX0B7PA1-Propyl-PyridineNSC 966NSC-9662-(C3H7)-pyridine
Show more names
2PPYCONYRINCONYRIN(RG)2-propyl-pyridin1-propylpyridinePropylpyridine,98%2-n-Propylpyridine
EINECS 210-732-42-PROPYLPYRIDINE [FHFI]DTXSID2060751FEMA NO. 4065RefChem:89329DTXCID0043264210-732-4InChI=1/C8H11N/c1-2-5-8-6-3-4-7-9-8/h3-4,6-7H,2,5H2,1H
Database identifiers
- CAS
622-39-9- PubChem CID
- 69320
- DTXSID
DTXSID2060751- ChEMBL
CHEMBL21824- ChEBI
CHEBI:179425- UNII
- 3N6AX0B7PA
- EC Number
- 210-732-4
- Nikkaji
- J6.841A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 71
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.907-0.917
Flavoring AgentsEU Flavoring substances
Solubility
slightly
Slightly soluble in water
Soluble (in ethanol)
Boiling Point
169.00 to 171.00 °C. @ 760.00 mm Hg
169-171 °C
Melting Point2 °C
Refractive Index1.490-1.496
Physical Description
Liquid
Colourless liquid; Tobacco, nutty aroma
Physicochemical properties
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
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- tsca
- TSCA listed
- ridadr
- 1993
- hs_code
- 2933399090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-36
- hazard_class
- 3.2
- packing_group
- III
- Hazard statements
- H226-H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationPyridine, 2-propyl-: INACTIVE
Applications
OccurrenceReportedly present in beef (boiled, cooked), oat groats (toasted) and oatmeal (cooked).
UsesTraces of 2-Propylpyridine may introduce natural, green-tobacco-like, herbaceous notes in a Fougere or Chypre, particularly in conjunction with Oakmoss, Lavender, Phenylacetates, etc.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
24 records
Compound notes
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