Basic information
- CAS
6304-24-1- Standard SMILES
CC(C)Cc1ccccn1- InChIKey
BBVSPSDWPYWMOR-UHFFFAOYSA-N- Molecular formula
- C9H13N
- Average molar mass
- 135.21 g/mol
- Monoisotopic mass
- 135.10479942
Overview
2-(2-Methylpropyl)pyridine is a member of pyridines.
Names & identifiers
- Preferred name
- 2-Isobutylpyridine
- IUPAC
- 2-(2-methylpropyl)pyridine
- English name
- 2-(2-Methylpropyl)pyridine
- Molecular formula
- C9H13N
- Molecular weight
- 135.21
Names & synonyms
2-ISOBUTYLPYRIDINE6304-24-12-(2-Methylpropyl)pyridine2-isobutyl pyridinePyridine, 2-(2-methylpropyl)-UNII-GS3K23H1Q8GS3K23H1Q8EINECS 228-606-2NSC-42623DTXSID80212326NSC 426232-(2-METHYLPROPYL)PYRIDINE [FHFI]
Show more names
FEMA 3370FEMA NUMBER 33702-(2-METHYLPROPYL) PYRIDINE
RefChem:87706DTXCID80134817228-606-2BBVSPSDWPYWMOR-UHFFFAOYSA-NPyridine, 2-isobutyl-FEMA No. 3370MFCD022621422-Isobutyl-pyridin
Database identifiers
- CAS
6304-24-1- PubChem CID
- 61385
- DTXSID
DTXSID80212326- ChEBI
CHEBI:173364- UNII
- GS3K23H1Q8
- EC Number
- 228-606-2
- Nikkaji
- J206.885K
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
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.894-0.900
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water
Soluble (in ethanol)
Boiling Point
110.00 to 111.00 °C. @ 55.00 mm Hg
181 °C
Refractive Index1.480-1.486
Physical DescriptionColourless to yellow liquid; Sharp aroma
Physicochemical properties
- Boiling point
- 180 · 180-185 °C
- Density
- 0.899 · 0.899
- FLAVIS Number
- 14.058 · 14.058 | 2-Isobutylpyridine
- FEMA
- 3370 · 3370 | 2-(2-METHYLPROPYL)PYRIDINE
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 5.83 · 5.83±0.19(Predicted)
- Odor
- 0.1 % · at 0.10 % in dipropylene glycol. strong aromatic bell pepper
- Odor Type
- aromatic
- JECFA Number
- 1311 · 1311
- LogP
- 2.6 · 2.60
- Substances Added to Food (formerly EAFUS)
- 2 · 2-(2-METHYLPROPYL)PYRIDINE
- CAS DataBase Reference
- 6304 · 6304-24-1(CAS DataBase Reference)
- FDA UNII
- 3 K23H1Q8 · GS3K23H1Q8
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 26 · 26-36/37/39
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 (93.8%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 96 reports by companies from 5 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Pyridine, 2-(2-methylpropyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Pyridine, 2-(2-methylpropyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (93.8%)
Safety data
- risk_code
- 36/37/38-22
- Signal word
- Danger
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Applications
DescriptionMay be prepared from 2-pycolyllithium and isopropyl bromide; from 2-methyl pyridine and isopropyl bromide in liquid ammonia in the presence of potassium metal and ferric nitrate.
Preparation methods
PreparationFrom β-picoline with NaNH2 and alkyl chloride or bromide.
Upstream & downstream products
Upstream raw materials
Suppliers20 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
BOC Sciences[email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Additional notes
DefinitionChEBI: 2-(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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