Butylethanolamine (HCID 8132)

概要

structure given in first source; RN given refers to parent cpd

名称と識別子

優先名称: Butylethanolamine
IUPAC: 2-(butylamino)ethanol
現地名: 2-(ブチルアミノ)エタノール
英語名: 2-(Butylamino)ethanol
分子式: C6H15NO
分子量: 117.19

名称と別名

111-75-12-ButylaminoethanolN-ButylethanolamineEthanol, 2-(butylamino)-ButylethanolamineButylmonoethanolamine2-(N-Butylamino)ethanol2-(N-Monobutylamino)ethanol3IBO99KPV6SYNERGEXNSC-1098DTXSID9059410

名称をさらに表示

2-(ブチルアミノ)エタノールN-ブチルエタノールアミン2-ブチルアミノエタノールN-n-ブチルエタノールアミン2-（ブタン-1-イルアミノ）エタノール2‐(ブチルアミノ)エタノールBMEAceshiceshisbutylethanalamineButhylethanolamine2-butylamino-ethano

RefChem:461526DTXCID5033206203-904-52-(Butylamino)ethanoln-ButylaminoethanolN-Butyl monoethanolamine2-(butylamino)ethan-1-olN-n-Butylethanolamine

データベース識別子

CAS: 111-75-1
PubChem CID: 8132
DTXSID: DTXSID9059410
UNII: 3IBO99KPV6
EC Number: 203-904-5
Nikkaji: J78.142H

物性

構造計算による物性

XLogP: 0.4
極性表面積: 32.3 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 5
重原子数: 8
形式電荷: 0
複雑度: 39.5

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Ethanolamines

SpringerMaterials PropertiesOptical coefficient

Physical Description · 2 件

Liquid

Clear colorless liquid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 28.94 °C · 28.94°C (estimate)
沸点: 198 · 198-200 °C(lit.)
比重(密度): 0.891 g/mL · 0.891 g/mL at 25 °C(lit.)
蒸気圧: 13.94 Pa · 13.94Pa at 20℃
屈折率: 20 · n20/D 1.444(lit.)
闪点: 170 °F · 170 °F
貯蔵温度: 2 · 2-8°C
溶解性: 1000 g/リットル · 1000g/リットル
外見: clear liquid
酸解離定数(Pka): 14.81 · 14.81±0.10(Predicted)
比重: 0.893 · 0.893
色: Colorless to Almost colorless
PH: 11.9 · 11.9 (100g/l, H2O, 20℃)
爆発限界(explosive limit): 1.5 · 1.5-8.6%(V)
由来生物: goat
水溶解度: 1000 g/L · 1000g/L at 20℃
BRN: 1732522 · 1732522
化粧品成分の機能: バッファリング
InChI: 1S/C6H15NO/c1-2-3-4-7-5-6-8/h7-8H,2-6H2,1H3
InChIKey: LJDSTRZHPWMDPG-UHFFFAOYSA-N
SMILES: CCCCNCCO
LogP: 0.64 at · 0.64 at 25℃
CAS データベース: 111 · 111-75-1(CAS DataBase Reference)
EPAの化学物質情報: 2 · Ethanol, 2-(butylamino)- (111-75-1)

化学的性質

化学的特性Colorless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (85.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 859 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: Ethanol, 2-(butylamino)-

Ethanol, 2-(butylamino)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2-(butylamino)- 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: 04-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5529

2-Butylamino-ethanol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract; Harmful by ingestion; [Sigma-Aldrich MSDS] See Ethanolamine.

Hazard Classes and CategoriesAcute Tox. 4 (85.3%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

wgk: 1
tsca: TSCA listed
rtecs: KK0175000
ridadr: UN 2735 8/PG 2
hs_code: 29221990
risk_code: 22-34
化審法: (2)-295
消防法: 危-4-3-III
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

用途と製造

U.S. Production2023: 1,000,000 - <5,000,000 lb

Industry UsesNot Known or Reasonably Ascertainable

General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

Ethanol, 2-(butylamino)-: ACTIVE

応用分野 · 4 件

用途有機合成原料。

説明2-(butylamino)ethanol (BAE) is a secondary amine and has steric hindrance with a strong tendency to form bicarbonate on reaction with CO2. As a result, equilibrium CO2 loading can exceed 0.5 mol CO2/mol amine, resulting in higher cyclic capacity than conventional MEA. BAE's hydrophobicity is very high and highly soluble with most amines and ethers. The advantages of preferring BAE over traditional 2-amino-2-methyl-1-propanol (AMP) are that BAE does not produce solid precipitation on CO2 loading, CO2 absorption and reaction rate of BAE is higher than AMP, it can be regenerated at low temperature, low heat of CO2 absorption and BAE is cheaper than AMP[1].

使用2-(Butylamino)ethanol (N-Butylethanolamine) may be employed for the synthesis of 4-alkylamino-2,5,6-trimethyl -7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidines and N-butyl-N-(2-nitroxyethyl)nitramine (BuNENA).

一般的な説明2-(Butylamino)ethanol is a secondary amine having a -OH group.