Triethyl ethane-1,1,2-tricarboxylate (HCID 81961)

이름 및 식별자

우선 이름: Triethyl ethane-1,1,2-tricarboxylate
IUPAC: triethyl ethane-1,1,2-tricarboxylate
영어명: Triethyl 1,1,2-ethanetricarboxylate
분자식: C11H18O6
분자량: 246.26

이름 및 동의어

7459-46-3Triethyl ethane-1,1,2-tricarboxylateTriethyl 1,1,2-ethanetricarboxylate1,1,2-Ethanetricarboxylic acid, triethyl esterEINECS 231-235-9AI3-03323DTXSID70225561NSC 78463RefChem:899476DTXCID00148052231-235-9InChI=1/C11H18O6/c1-4-15-9(12)7-8(10(13)16-5-2)11(14)17-6-3/h8H,4-7H2,1-3H

이름 더 보기

TETCLABOTEST-BB LT004526681,1,2-TricarbethoxyethaneTriethyl 1,1,2-ethanetricarbTriethyle1, 1, 2-ethanetricarboxylateDiethyl 2-(Ethoxycarbonyl)butanedioate

1,1,2-triethyl ethane-1,1,2-tricarboxylateMFCD000091542-ethoxycarbonyl-succinic acid diethyl esterTriethyl ethane-1,2,2-tricarboxylateTriethyl ethane tricarboxylate1,1,2-Ethanetricarboxylic Acid 1,1,2-Triethyl EsterNSC-78463Ethane-1,1,2-tricarboxylic acid, triethyl ester

데이터베이스 식별자

CAS: 7459-46-3
PubChem CID: 81961
DTXSID: DTXSID70225561
UNII: K6LNB6UH4U
EC Number: 231-235-9
Nikkaji: J36.625K

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 78.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 10
무거운 원자 수: 17
형식 전하: 0
복잡도: 255

물리화학적 성질

끓는 점: 99 °C/0.5 · 99 °C/0.5 mmHg (lit.)
밀도: 1.074 g/mL · 1.074 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.429(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름, 에틸아세테이트에 용해됨
물리적 상태: 액체
산도 계수 (pKa): 11.78 · 11.78±0.59(Predicted)
Specific Gravity: 1.074 · 1.074
색상: 무색의
BRN: 1796294 · 1796294
Dielectric constant: 6.5 · 6.5(19.0℃)
InChI: InChI=1S/C11H18O6/c1-4-15-9(12)7-8(10(13)16-5-2)11(14)17-6-3/h8H,4-7H2,1-3H3
InChIKey: TVWZLLYAJDSSCJ-UHFFFAOYSA-N
SMILES: C(C(=O)OCC)(C(=O)OCC)CC(=O)OCC
NIST: 1 · 1,1,2-Ethanetricarboxylic acid, triethyl ester(7459-46-3)

화학적 성질

CLEAR COLOURLESS LIQUID

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
HS 번호: 29420000
safety_code: 23-24/25
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

개요Triethyl 1,1,2-ethanetricarboxylate is a carboxylic acid ester compound that can be used in nanomaterials, pharmaceutical intermediates, organic synthesis and other fields.

용도1,1,2-Ethanetricarboxylic Acid 1,1,2-Triethyl Ester is a useful synthetic intermediate. It can be used to prepare Isobutylsuccinic Acid (I780660) which was used to synthesize succinimide derivatives as inhibitors of human leukocyte elastase, cathepsin G and proteinase 3.