2-(N-에틸-m-톨루이디노)에탄올

2-(N-에틸-m-톨루이디노)에탄올 · emery5714 · Emery 5714 · 2-(N-Ethyl-m-toluidi · HYDROXYETHYLETHYLTOLUIDINE · 2-(N-ETHYL-M-TOLUIDINO)ETHANOL · 2-(ethyl(m-tolyl)amino)ethanol · 2-(n-ethyl-m-toluidino)-ethano

https://huagongshe.com/ko/chemical/7067

식별자 및 물리적 특성

CAS No.	91-88-3
분자식	C11H17NO
평균 분자량	179.26 g/mol
단동위원소 질량	179.13101416 g/mol
SMILES	CCN(CCO)c1cccc(C)c1
InChIKey	KRNUKKZDGDAWBF-UHFFFAOYSA-N
PubChem CID	7067
ChEMBL	CHEMBL3182607
ChEBI	CHEBI:190982
EC No.	202-105-9
DTXSID	DTXSID3021801
현지명	2-(N-에틸-m-톨루이디노)에탄올

화학 및 물리적 성질

XLogP	2.5
극성 표면적	23.5
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	4
무거운 원자 수	13
형식 전하	0
복잡도	138
Collision Cross Section	140.6 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID3021801]
녹는점	-19 °C
끓는 점	114-115 °C/1 mmHg (lit.)
밀도	1.019 g/mL at 25 °C (lit.)
굴절률	n20/D 1.555(lit.)
인화점	>230 °F
저장 조건	Sealed in dry,Room Temperature
물리적 상태	powder to lump to clear liquid
pKa(산도 계수)	14.67±0.10(Predicted)
색상	White or Colorless to Yellow to Orange
용해도	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	Ethanol, 2-[ethyl(3-methylphenyl)amino]-(91-88-3)
EPA	2-(N-Ethyl-m-toluidino)ethanol (91-88-3)

화학적 성질

clear yellow to green liquid

안전 및 규제

GHS 분류	DangerH301 (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.
규제 정보	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 Categories	Acute Tox. 3 (48.1%)
수질 위해 등급(WGK)	2
TSCA 등재 상태	TSCA listed
RTECS 번호	KL1320000
관세 코드	2922190090
위험 문구(R)	22-41-36/37/38
위험 표시	Xn
안전 문구(S)	26-39-37/39
기존화학 물질	KE-13941
위험 등급	Acute Tox. 4 Oral
저장 분류	10 - Combustible liquids

용도

A 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).