Basic information
- CAS
1129-69-7- Standard SMILES
CCCCCCc1ccccn1- InChIKey
NZLJDTKLZIMONR-UHFFFAOYSA-N- Molecular formula
- C11H17N
- Average molar mass
- 163.26 g/mol
- Monoisotopic mass
- 163.13609955
Overview
2-hexylpyridine is a member of the class of pyridines that is pyridine carrying a hexyl substituent at position 2. It has a role as a flavouring agent.
Names & identifiers
- Preferred name
- 2-Hexylpyridine
- IUPAC
- 2-hexylpyridine
- English name
- 2-Hexylpyridine
- Molecular formula
- C11H17N
- Molecular weight
- 163.26
Names & synonyms
2-HexylpyridinePyridine, 2-hexyl-2-(n-Hexyl)pyridinePyridine, 2-(n-hexyl)-EINECS 214-454-4BRN 0114710AI3-24115DTXSID101502072-C6H13(c-C5H4N)5-20-06-00161 (Beilstein Handbook Reference)RefChem:87317DTXCID5072698
Show more names
214-454-4NZLJDTKLZIMONR-UHFFFAOYSA-N1129-69-72-n-Hexylpyridine2-HEXYL-PYRIDINEMFCD000235526-Hexylpyridine2-Hexyl-pyridin
Database identifiers
- CAS
1129-69-7- PubChem CID
- 70797
- DTXSID
DTXSID10150207- ChEBI
CHEBI:195229- UNII
- 64D57S7HGV
- EC Number
- 214-454-4
- Nikkaji
- J45.677B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 101
Experimental & physicochemical properties
SpringerMaterials PropertiesSurface tension
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 100 °C · 100 °C(Press: 0.1 Torr)
- Density
- 0.899 · 0.899±0.06 g/cm3(Predicted)
- FEMA
- 4065 · 4065 | 2-PROPYLPYRIDINE
- FLAVIS Number
- 14.117 · 14.117 | 2-Hexylpyridine
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 5.95 · 5.95±0.10(Predicted)
- Odor
- 0.1 % · at 0.10 % in propylene glycol. green fatty mutton
- Odor Type
- green
- Water Solubility
- Slightly soluble in water.
- Major Application
- flavors and fragrances
- InChI
- InChI=1S/C11H17N/c1-2-3-4-5-8-11-9-6-7-10-12-11/h6-7,9-10H,2-5,8H2,1H3
- InChIKey
- NZLJDTKLZIMONR-UHFFFAOYSA-N
- SMILES
- C1(CCCCCC)=NC=CC=C1
- LogP
- 3.766 · 3.766 (est)
- CAS DataBase Reference
- 1129 · 1129-69-7(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 64 D57S7HGV · 64D57S7HGV
- NIST Chemistry Reference
- 2 · 2-C6H13(c-C5H4N)(1129-69-7)
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- target organs
- Respiratory system
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- WGK Germany
- 3 · WGK 3
- RTECS
- 4245000 · UT4245000
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralEye · Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
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 < 0.1% (1 of 1419) of reports.
Warning
H302 (96.9%): 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 1419 reports by companies from 6 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Pyridine, 2-hexyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Pyridine, 2-hexyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (96.9%)
Safety data
- wgk
- WGK 3
- rtecs
- UT4245000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses2-n-Hexylpyridine is used as an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff.
UsesUsed in vegetable, meat and nut flavours, up to 1ppm.
Upstream & downstream products
Upstream raw materials
Suppliers34 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
北京东华力拓科技发展有限公司010-88425576 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
JACS-郑州杰克斯化工产品有限公司0371-86259281 13223061139 · [email protected]
上海博拓生物科技有限公司16621358918 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
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No reaction records under the current filter.
Compound notes
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