基本情報
- 標準SMILES
CCN1CCCCC1- InChIKey
HTLZVHNRZJPSMI-UHFFFAOYSA-N- 分子式
- C7H15N
- 平均分子量
- 113.2 g/mol
- 単同位体質量
- 113.12044948
概要
1-ethylpiperidine appears as a colorless liquid with the odor of pepper. Less dense than water. May irritate skin and eyes. Vapors heavier than air. Used as a solvent and to make other chemicals.
名称と識別子
- 優先名称
- N-Ethylpiperidine
- IUPAC
- 1-ethylpiperidine
- 現地名
- 1エチルピペリジン
- 英語名
- 1-Ethylpiperidine
- 分子式
- C7H15N
- 分子量
- 113.2
名称と別名
1-Ethylpiperidine766-09-6N-ETHYLPIPERIDINEPiperidine, 1-ethyl-N-AethylpiperidinNSC-20907IE43L0926DTXSID1061102CHEBI:39017EPHP cpdRefChem:75778DTXCID5047900
名称をさらに表示
1エチルピペリジン1-エチルピペリジンN-エチルピペリジンNエチルピペリジンl-エチルピペリジンN‐エチルピペリジンN-Ethylpiperidin1-Ethylpiperidin1-Ethylpiperidene1-ethvlpiperidine1-ethyl-piperidin
212-161-6N-Ethyl piperidineethylpiperidine1-ethyl-piperidineMFCD00006507NSC 2090N-Aethylpiperidin [German]1-ethyl piperidine
データベース識別子
- CAS
766-09-6- PubChem CID
- 13007
- DTXSID
DTXSID1061102- ChEMBL
CHEMBL25053- ChEBI
CHEBI:39017- UNII
- 7IE43L0926
- EC Number
- 212-161-6
- Nikkaji
- J35.452J
物性
構造計算による物性
- XLogP
- 2
- 極性表面積
- 3.2 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
- 1
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 55.4
実験および物理化学的性質
Chemical ClassesFlammable agents - 3rd degree
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP1.88
Physical Description
1-ethylpiperidine appears as a colorless liquid with the odor of pepper. Less dense than water. May irritate skin and eyes. Vapors heavier than air. Used as a solvent and to make other chemicals.
Liquid
物理化学的性質
- 融点
- -20 °C · -20 °C
- 沸点
- 131 °C · 131 °C(lit.)
- 比重(密度)
- 0.824 g/mL · 0.824 g/mL at 25 °C(lit.)
- 蒸気圧
- 12.76 hPa · 12.76hPa at 20℃
- 屈折率
- 20 · n20/D 1.444(lit.)
- 闪点
- 66 °F · 66 °F
- 貯蔵温度
- Flammables area
- 溶解性
- 1 · ベンジルペニシリンの 1-エチルピペリジン塩は、酢酸アミルおよびアセトンへの溶解度がかなり低い。
- 酸解離定数(Pka)
- 10.45 · 10.45(at 23℃)
- 外見
- 液体
- 色
- 無色透明～微黄色透明
- PH
- 12.2 · 12.2 (50g/l, H2O, 20℃)
- 爆発限界(explosive limit)
- 1.9 · 1.9-12.1%(V)
- 水溶解度
- 50 g/L · 50g/L
- BRN
- 102643 · 102643
- Henry's Law Constant
- 3.9 · 3.9×10-1 mol/(m3Pa) at 25℃, Hilal et al. (2008)
- InChI
- 1S/C7H15N/c1-2-8-6-4-3-5-7-8/h2-7H2,1H3
- InChIKey
- HTLZVHNRZJPSMI-UHFFFAOYSA-N
- SMILES
- CCN1CCCCC1
- LogP
- 1.89 at · 1.89 at 25℃
- CAS データベース
- 766 · 766-09-6(CAS DataBase Reference)
- NISTの化学物質情報
- 1 · Piperidine, 1-ethyl-(766-09-6)
- EPAの化学物質情報
- 1 · Piperidine, 1-ethyl- (766-09-6)
化学的性質
化学的特性CLEAR COLOURLESS TO SLIGHTLY YELLOWISH LIQUID
安全と法規制
GHS分類
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 213 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Piperidine, 1-ethyl-
Piperidine, 1-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Piperidine, 1-ethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 16-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11076
Piperidine, 1-ethyl-: HSNO Approval: HSR001045 Approved with controls
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelFlammable Liquid Corrosive
Fire Hazards
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
· Flammable/combustible material.
Health Hazards
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
· May cause toxic effects if inhaled or ingested.
DOT ID and Guide2386 132
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity AlertsHighly Flammable
Reactivity Profile
1-ETHYLPIPERIDINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
DOT Hazard Classification
1-Ethylpiperidine
UN2386
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG II: the degree of danger presented by the material is medium
Air and Water ReactionsHighly flammable. Soluble in water.
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flammable agents - 3rd degree
安全と保護具
Fire FightingExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Isolation and Evacuation
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Emergency Response Planning Guidelines· Some of these materials may react violently with water.
安全データ
- F
- 10-23
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- TN0250000
- ridadr
- UN 2386
- hs_code
- 29333990
- risk_code
- 11-20/22-36/37/38
- 消防法
- 危-4-1-II
- hazard_code
- F,Xn
- safety_code
- 26-36/37/39
- hazard_class
- 3
- packing_group
- II
- Hazard Classifications
- Acute Tox. 3 InhalationAcute Tox. 3 OralAcute Tox. 4 DermalEye Dam. 1Flam. Liq. 2Skin Corr. 1B
- ストレージクラス
- 3 - Flammable liquids
化学と産業
用途と製造
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Piperidine, 1-ethyl-: ACTIVE
応用分野
用途有機合成原料。
使用In Room temperature phosphorescence of α-bromonaphthalene induced by cyclodextrin in the presence of hexahydropyridine or 1-ethylpiperidine and its application is described. The highest yields of 5-Bromopyrimidine (37%) were obtained by using 1-ethylpiperidine or triethylamine as condensing agent. Tributyltin hydride and 1-ethylpiperidine hypophosphite were mediated intermolecular radical additions to 2, 4, 6-trichlorophenyl vinyl sulfonate.
一般的な説明A colorless liquid with the odor of pepper. Less dense than water. Flash point 66°F. May irritate skin and eyes. Vapors heavier than air. Used as a solvent and to make other chemicals.
上流・下流製品情報
上流原料
下流製品
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