2-(N-ethyl-m-toluidino)ethanol (HCID 7067)

개요

2-(n-ethyl-n-m-toluidino)ethanol is an aminotoluene.

이름 및 식별자

우선 이름: 2-(N-ethyl-m-toluidino)ethanol
IUPAC: 2-(N-ethyl-3-methylanilino)ethanol
현지명: 2-(N-에틸-m-톨루이디노)에탄올
영어명: 2-(N-Ethyl-m-toluidino)ethanol
분자식: C11H17NO
분자량: 179.26

이름 및 동의어

91-88-32-(N-Ethyl-m-toluidino)ethanolEmery 5714N-Ethyl-N-(2-hydroxyethyl)-m-toluidineEthanol, 2-[ethyl(3-methylphenyl)amino]-ETHANOL, 2-(N-ETHYL-m-TOLUIDINO)-N-Ethyl-N-hydroxyethyl-meta-toluidineN-Hydroxyethyl-N-ethyl-m-toluidineEINECS 202-105-9NSC 89746DTXSID3021801Ethanol, 2-(ethyl(3-methylphenyl)amino)-

이름 더 보기

2-(N-에틸-m-톨루이디노)에탄올emery57142-(N-Ethyl-m-toluidiHYDROXYETHYLETHYLTOLUIDINE2-(ethyl(m-tolyl)amino)ethanol2-(n-ethyl-m-toluidino)-ethano2-(n-ethyl-n-m-toluidino)ethanol2-(Ethyl-3-methylanilino)ethanol

1ALR5X8R8W2-[ethyl(3-methylphenyl)amino]ethanolBRN 2091653NSC-89746DTXCID1018014-12-00-01819 (Beilstein Handbook Reference)N-ethyl-N-(beta-hydroxyethyl)-m-toluidinen-ethyl-n-(.beta.-hydroxyethyl)-m-toluidine

데이터베이스 식별자

CAS: 91-88-3
PubChem CID: 7067
DTXSID: DTXSID3021801
ChEMBL: CHEMBL3182607
ChEBI: CHEBI:190982
UNII: 1ALR5X8R8W
EC Number: 202-105-9
Nikkaji: J31.139A

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 23.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 138

실험 및 물리화학적 성질

Collision Cross Section140.6 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3021801]

물리화학적 성질

녹는점: -19 °C · -19 °C
끓는 점: 114 · 114-115 °C/1 mmHg (lit.)
밀도: 1.019 g/mL · 1.019 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.555(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to lump to clear liquid
산도 계수 (pKa): 14.67 · 14.67±0.10(Predicted)
색상: White or Colorless to Yellow to Orange
수용성: 불용성
InChI: InChI=1S/C11H17NO/c1-3-12(7-8-13)11-6-4-5-10(2)9-11/h4-6,9,13H,3,7-8H2,1-2H3
InChIKey: KRNUKKZDGDAWBF-UHFFFAOYSA-N
SMILES: C(O)CN(CC)C1=CC=CC(C)=C1
NIST: 2 · Ethanol, 2-[ethyl(3-methylphenyl)amino]-(91-88-3)
EPA: 2 · 2-(N-Ethyl-m-toluidino)ethanol (91-88-3)

화학적 성질

clear yellow to green liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (48.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 77 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Ethanol, 2-[ethyl(3-methylphenyl)amino]-

Ethanol, 2-ethyl(3-methylphenyl)amino-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 3 (48.1%)

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: KL1320000
HS 번호: 2922190090
risk_code: 22-41-36/37/38
hazard_code: Xn
safety_code: 26-39-37/39
기존화학 물질: KE-13941
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationEthanol, 2-[ethyl(3-methylphenyl)amino]-: ACTIVE

응용 분야 · 1건

용도A 2-(N-Ethyl-m-toluidino)ethanol pigment system and lipoprotein lipase are used as a new glycerol oxidase determination method for serum triglyceride. 2-(N-Ethyl-m-toluidino)ethanol is also used in quantitative structure–activity relationship (QSAR) models that are developed to predict the aquatic toxicity of chemicals to the fathead minnow (Pimephales promelas).