基本情報
- CAS
2294-76-0- 標準SMILES
CCCCCc1ccccn1- InChIKey
HSDXVAOHEOSTFZ-UHFFFAOYSA-N- 分子式
- C10H15N
- 平均分子量
- 149.23 g/mol
- 単同位体質量
- 149.12044948
概要
2-Pentylpyridine is a member of pyridines.
名称と識別子
- 優先名称
- 2-Pentylpyridine
- IUPAC
- 2-pentylpyridine
- 現地名
- 2-ペンチルピリジン
- 英語名
- 2-Pentylpyridine
- 分子式
- C10H15N
- 分子量
- 149.23
名称と別名
2-PENTYLPYRIDINE2-AmylpyridinePyridine, 2-pentyl-2-n-Pentylpyridine2-n-AmylpyridineEINECS 218-937-0NSC 4693NSC-4693UNII-9N74L1UD119N74L1UD112-PENTYLPYRIDINE [FHFI]DTXSID9062308
名称をさらに表示
2-ペンチルピリジン2-アミルピリジン2-N-アミルピリジンFEMA 3383FEMA NUMBER 33832-pentyl-pyridinα-Pyridyl benzene2-Amylpyridine >
FEMA NO. 3383RefChem:88997DTXCID4036778218-937-0HSDXVAOHEOSTFZ-UHFFFAOYSA-N2294-76-01-(2-PYRIDYL)PENTANE2-Pentyl-Pyridine
データベース識別子
- CAS
2294-76-0- PubChem CID
- 16800
- DTXSID
DTXSID9062308- ChEBI
CHEBI:188979- UNII
- 9N74L1UD11
- EC Number
- 218-937-0
- Nikkaji
- J45.016B
物性
構造計算による物性
- XLogP
- 2.9
- 極性表面積
- 12.9 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 4
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 90.9
実験および物理化学的性質
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;
物理化学的性質
- 沸点
- 102 · 102-107 °C (lit.)
- 比重(密度)
- 0.897 g/mL · 0.897 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.488(lit.)
- FEMA
- 3383 · 3383 | 2-PENTYLPYRIDINE
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29333990
- risk_code
- 36/37/38
- 消防法
- 危-4-3-III
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 10 - Combustible liquids
化学と産業
薬理情報
Cellular LocationsMembrane
用途と製造
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
応用分野
用途有機合成原料。
天然物の起源Reported 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.
調製方法
製造方法By alkylation of 2-pycollyl lithium; by hydrogenation of 2-pentenyl pyridine.
純化方法Dry it with NaOH for several days, then distil it from CaO under reduced pressure, taking the middle fraction and redistilling it. The picrate has m 72-72.8o (from EtOH). [Beilstein 20 III/IV 2835.] 3-n-Pentylpyridine, purified as the 2-isomer, has b 110-112o/20mm, 224-226o/748mm, and the picrate has m 79.5-80o(from EtOH). [Beilstein 20 III/IV 2835.]
上流・下流製品情報
上流原料
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