2-Pentylpyridine
Basic information
- CAS
2294-76-0- Standard SMILES
CCCCCc1ccccn1- InChIKey
HSDXVAOHEOSTFZ-UHFFFAOYSA-N- Molecular formula
- C10H15N
- Average molar mass
- 149.23 g/mol
- Monoisotopic mass
- 149.12044948
Overview
2-Pentylpyridine is a member of pyridines.
Names & identifiers
- Preferred name
- 2-Pentylpyridine
- IUPAC
- 2-pentylpyridine
- English name
- 2-Pentylpyridine
- Molecular formula
- C10H15N
- Molecular weight
- 149.23
Names & synonyms
2-PENTYLPYRIDINE2-AmylpyridinePyridine, 2-pentyl-2-n-Pentylpyridine2-n-AmylpyridineEINECS 218-937-0NSC 4693NSC-4693UNII-9N74L1UD119N74L1UD112-PENTYLPYRIDINE [FHFI]DTXSID9062308
Show more names
FEMA 3383FEMA NUMBER 33832-pentyl-pyridinα-Pyridyl benzene2-Amylpyridine >
FEMA NO. 3383RefChem:88997DTXCID4036778218-937-0HSDXVAOHEOSTFZ-UHFFFAOYSA-N2294-76-01-(2-PYRIDYL)PENTANE2-Pentyl-Pyridine
Database identifiers
- CAS
2294-76-0- PubChem CID
- 16800
- DTXSID
DTXSID9062308- ChEBI
CHEBI:188979- UNII
- 9N74L1UD11
- EC Number
- 218-937-0
- Nikkaji
- J45.016B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 90.9
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.895-0.901
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water
Soluble (in ethanol)
Boiling Point
102.00 to 107.00 °C. @ 760.00 mm Hg
102-107 °C
Refractive Index1.485-1.491
Physical DescriptionColourless to yellow liquid;
Physicochemical properties
- Boiling point
- 102 · 102-107 °C (lit.)
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
H302 (97.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1594 reports by companies from 6 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Pyridine, 2-pentyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Pyridine, 2-pentyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (97.2%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29333990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationPyridine, 2-pentyl-: ACTIVE
Applications
OccurrenceReported as occurring in shallow-fried beef and as a steam-volatile component in roasted Spanish peanut. Also reported found in bell pepper, black sesame seeds, roast turkey, fried chicken, fried beef, cooked beef, mutton, lamb fat, roasted filberts, toasted oats and coriander seed.
Usesflavors and fragrances
Preparation methods
PreparationBy alkylation of 2-pycollyl lithium; by hydrogenation of 2-pentenyl pyridine.
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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