Butylethanolamine (HCID 8132)

개요

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

이름 및 식별자

우선 이름: Butylethanolamine
IUPAC: 2-(butylamino)ethanol
현지명: 노르말에탄올아민
영어명: 2-(Butylamino)ethanol
분자식: C6H15NO
분자량: 117.19

이름 및 동의어

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

이름 더 보기

2-뷰틸아미노에탄올2-(뷰틸아미노)에탄올노르말에탄올아민부틸에탄올아민BMEAceshiceshisbutylethanalamineButhylethanolamine2-butylamino-ethano

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 32.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 5
무거운 원자 수: 8
형식 전하: 0
복잡도: 39.5

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Ethanolamines

SpringerMaterials PropertiesOptical coefficient

Physical Description · 2건

Liquid

Clear colorless liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 28.94 °C · 28.94°C (estimate)
끓는 점: 198 · 198-200 °C(lit.)
밀도: 0.891 g/mL · 0.891 g/mL at 25 °C(lit.)
증기압: 13.94 Pa · 13.94Pa at 20℃
굴절률: 20 · n20/D 1.444(lit.)
인화점: 170 °F · 170 °F
저장 조건: 2 · 2-8°C
용해도: 1000 g/L · 1000g/L
물리적 상태: 투명한 액체
산도 계수 (pKa): 14.81 · 14.81±0.10(Predicted)
Specific Gravity: 0.893 · 0.893
색상: 무색 내지 거의 무색
수소이온지수(pH): 11.9 · 11.9 (100g/l, H2O, 20℃)
폭발한계: 1.5 · 1.5-8.6%(V)
생물학적 소스: goat
수용성: 1000 g/L · 1000g/L at 20℃
BRN: 1732522 · 1732522
화장품 원료 기능: 버퍼링
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℃
EPA: 2 · Ethanol, 2-(butylamino)- (111-75-1)

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 4건

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%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: KK0175000
ridadr: UN 2735 8/PG 2
HS 번호: 29221990
risk_code: 22-34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
기존화학 물질: KE-04200
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

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

Industry UsesNot Known or Reasonably Ascertainable

General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

Ethanol, 2-(butylamino)-: ACTIVE

응용 분야 · 3건

개요2-(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].

용도2-(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).

일반 설명2-(Butylamino)ethanol is a secondary amine having a -OH group.