3-Isobutyl pyridine
Basic information
- CAS
14159-61-6- Standard SMILES
CC(C)Cc1cccnc1- InChIKey
DEGXTCKEZCCZOP-UHFFFAOYSA-N- Molecular formula
- C9H13N
- Average molar mass
- 135.21 g/mol
- Monoisotopic mass
- 135.10479942
Overview
3-(2-Methylpropyl)pyridine is a member of pyridines.
Names & identifiers
- Preferred name
- 3-Isobutyl pyridine
- IUPAC
- 3-(2-methylpropyl)pyridine
- English name
- 3-Isobutylpyridine
- Molecular formula
- C9H13N
- Molecular weight
- 135.21
Names & synonyms
3-Isobutylpyridine14159-61-63-(2-Methylpropyl)pyridinePyridine, 3-(2-methylpropyl)-3-isobutyl pyridinebeta-Isobutylpyridine.beta.-IsobutylpyridinePyridine, 3-isobutyl-FEMA No. 3371EINECS 238-003-67V72L3X354DTXSID1065716
Show more names
3-Isobutylpyrizine3-(2-methylpropyl)-pyridin
3-(2-METHYLPROPYL)PYRIDINE [FHFI]RefChem:502795DTXCID7034595238-003-63-isobutyl-pyridineUNII-7V72L3X3543-Isobutylpyridinbeta -isobutylpyridine
Database identifiers
- CAS
14159-61-6- PubChem CID
- 61715
- DTXSID
DTXSID1065716- ChEBI
CHEBI:173363- UNII
- 7V72L3X354
- EC Number
- 238-003-6
- Nikkaji
- J216.887A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 88.7
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.898-0.904
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water
Soluble (in ethanol)
Boiling Point
68.00 to 69.00 °C. @ 8.00 mm Hg
68-68.5 °C (8 mm Hg)
Refractive Index1.488-1.494
Physical DescriptionColourless liquid; Sharp penetrating aromatic aroma
Physicochemical properties
- Density
- 0.909 · 0.909
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
This chemical does not meet GHS hazard criteria for 94.7% (89 of 94) of all reports.
Not Classified
Aggregated GHS information provided per 94 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Pyridine, 3-isobutyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Pyridine, 3-(2-methylpropyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationPyridine, 3-(2-methylpropyl)-: INACTIVE
Applications
DescriptionMay be prepared from p-picoline with NaNH2 and alkyl chloride or bromide.
OccurrenceReported found in lamb and mutton liver.
Additional notes
DefinitionChEBI: 3-(2-Methylpropyl)pyridine is a member of pyridines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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