基本情報
- 標準SMILES
CCCCC(CC)CN- InChIKey
LTHNHFOGQMKPOV-UHFFFAOYSA-N- 分子式
- C8H19N
- 平均分子量
- 129.24 g/mol
- 単同位体質量
- 129.15174961
概要
2-ethylhexylamine appears as a water-white liquid with a fishlike odor. Less dense than water. Flash point 140 °F. Extremely irritating to skin and eyes. Vapors heavier than air. Used to make pharmaceuticals and other chemicals.
名称と識別子
- 優先名称
- 2-Ethylhexylamine
- IUPAC
- 2-ethylhexan-1-amine
- 現地名
- 2-エチルヘキシルアミン
- 英語名
- 2-Ethylhexylamine
- 分子式
- C8H19N
- 分子量
- 129.24
名称と別名
名称をさらに表示
データベース識別子
- CAS
104-75-6- PubChem CID
- 7719
- DTXSID
DTXSID4025298- ChEMBL
CHEMBL1319257- UNII
- ER54Q9L9W3
- EC Number
- 203-233-8
- Nikkaji
- J47.019H
物性
構造計算による物性
- XLogP
- 2.8
- 極性表面積
- 26 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 5
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 52.5
実験および物理化学的性質
Chemical Classes
Nitrogen Compounds -> Amines, Aliphatic
Corrosives
Vapor Pressure
1.2 mmHg at 68 °F (NTP, 1992)
1.2 [mmHg]
Physical Description
2-ethylhexylamine appears as a water-white liquid with a fishlike odor. Less dense than water. Flash point 140 °F. Extremely irritating to skin and eyes. Vapors heavier than air. Used to make pharmaceuticals and other chemicals.
Liquid
Colorless liquid with a fishy odor; [CAMEO] Colorless or light yellow liquid with an odor of amines; [Sigma-Aldrich MSDS]
物理化学的性質
- 融点
- -76 °C · -76 °C
- 沸点
- 169 °C · 169 °C(lit.)
- 比重(密度)
- 0.789 g/mL · 0.789 g/mL at 25 °C(lit.)
- 蒸気圧
- 1.2 mm · 1.2 mm Hg ( 20 °C)
- 屈折率
- 20 · n20/D 1.431(lit.)
- 闪点
- 126 °F · 126 °F
- 貯蔵温度
- Flammables area
- 溶解性
- 1.6 g/リットル · 1.6g/リットル
- 外見
- 液体
- 酸解離定数(Pka)
- 10.75 · 10.75±0.10(Predicted)
- 色
- 無色透明
- 爆発限界(explosive limit)
- 1.6 · 1.6-7.7%(V)
- 水溶解度
- 2.5 g/L · 2.5g/L(20℃)
- BRN
- 1209249 · 1209249
- Henry's Law Constant
- 1 · 1.0×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- 安定性
- 安定。可燃性。強力な酸化剤とは相容れない。
- InChI
- 1S/C8H19N/c1-3-5-6-8(4-2)7-9/h8H,3-7,9H2,1-2H3
- InChIKey
- LTHNHFOGQMKPOV-UHFFFAOYSA-N
- SMILES
- CCCCC(CC)CN
- LogP
- 2.82 at · 2.82 at 20℃
- CAS データベース
- 104 · 104-75-6(CAS DataBase Reference)
- NISTの化学物質情報
- 1 · 1-Hexanamine, 2-ethyl-(104-75-6)
- EPAの化学物質情報
- 2 · 2-Ethylhexylamine (104-75-6)
化学的性質
化学的特性2-Ethylhexylamine is a corrosive liquid.
安全と法規制
GHS分類
GHS Classification
Danger
H226 (99.6%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P361+P364, 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 2941 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H226: Flammable liquid and vapor [Warning Flammable liquids]
危険有害性情報
Regulatory Information
Chemical: 1-Hexanamine, 2-ethyl-
1-Hexanamine, 2-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Hexanamine, 2-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: 07-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/1994
1-Hexanamine, 2-ethyl-: HSNO Approval: HSR001149 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.)
Fire Hazards
Special Hazards of Combustion Products: Carbon monoxide and/or carbon dioxide and toxic oxides of nitogen may be produced.
· Flammable/combustible material.
Health Hazards
INHALATION: High concentration of vapor will produce irritation of the respiratory tract and the lungs. Prolonged exposure may cause systemic effects. EYES: Contact with liquid may result in severe eye irritation. Exposure to concentrated vapor may result in corneal edema. SKIN: Contact with liquid may result in severe skin irritation, burns and possible skin absorption. INGESTION: May cause systemic poisoning. (USCG, 1999)
· May cause toxic effects if inhaled or ingested.
Hazards Summary
A severe eye and moderate to severe skin irritant; [RTECS] Highly irritating to skin and eyes; [CAMEO] A severe skin and eye irritant, with second-degree burns possible after a few minutes contact; High vapor concentrations cause respiratory tract and lung irritation, and may cause corneal edema; [CHRIS] A severe skin and mucous membrane irritant; [NTP] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Highly toxic by inhalation; Toxic by ingestion and skin absorption; [Sigma-Aldrich MSDS] See N-Ethyl cyclohexylamine.
Reactivity Profile
2-ETHYLHEXYLAMINE reacts with oxidizing materials (NTP, 1992). 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
2-Ethylhexylamine
UN2276
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG III: the degree of danger presented by the material is minor
Hazard Classes and Categories
Flam. Liq. 1 (99.6%)
Flammable liquids - Category 3
Corrosives, Flammable agents - 2nd degree
CSL Reaction Information
CSL00012
2-ETHYLHEXYLAMINE + 1-CHLORO-2-NITROBENZENE
Warning - This combination can cause a run-away exotherm that resulted in a chemical plant explosion.
Explosive
NITRO
User-Reported
安全と保護具
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
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Immediate precautionary measure
毒性情報
安全データ
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- MQ5250000
- ridadr
- UN 2276
- hs_code
- 29211980
- risk_code
- 10-21/22-23-34
- 化審法
- (2)-133
- 消防法
- 危-4-2-III
- hazard_code
- T,C
- safety_code
- 26-36/37/39-45-16
- hazard_class
- 3
- packing_group
- III
- 自然発火温度
- 563 °F
- Hazard Classifications
- Acute Tox. 2 InhalationAcute Tox. 3 DermalAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1B
- ストレージクラス
- 3 - Flammable liquids
化学と産業
用途と製造
General Manufacturing Information
Petroleum Lubricating Oil and Grease Manufacturing
1-Hexanamine, 2-ethyl-: ACTIVE
応用分野
用途界面活性剤、ゴム薬品、石油添加剤、殺虫剤の原料
使用2-Ethylhexylamine is used in organic syntheses.
一般的な説明A water-white liquid with a fishlike odor. Less dense than water. Flash point 140°F. Extremely irritating to skin and eyes. Vapors heavier than air. Used to make pharmaceuticals and other chemicals.
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