2-아세틸글루탈산 디에틸

Diethyl 2-acetylglutarate

HCID 73915CAS 1501-06-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)CCC(C(C)=O)C(=O)OCC
InChIKey: NNOGMCQLKMLNPL-UHFFFAOYSA-N
분자식: C11H18O5
평균 분자량: 230.26 g/mol
단동위원소 질량: 230.11542368

이름 및 식별자

우선 이름: Diethyl 2-acetylglutarate
IUPAC: diethyl 2-acetylpentanedioate
현지명: 2-아세틸글루탈산 디에틸
영어명: DIETHYL 2-ACETYLGLUTARATE
분자식: C11H18O5
분자량: 230.26

이름 및 동의어

Diethyl 2-acetylglutarate1501-06-0Pentanedioic acid, 2-acetyl-, diethyl esterEINECS 216-114-0AI3-05629DTXSID301241682Pentanedioic acid, 2-acetyl-, 1,5-diethyl esterNSC 42535RefChem:587112DTXCID001672573216-114-0Diethyl 2-acetylpentanedioate

이름 더 보기

2-아세틸글루탈산디에틸디에틸-2-아세틸글루타레이트AKOS MSC-0251TIMTEC-BB SBB007698DIETHYL A-ACETOGLUTARATEDiethyl α-AcetylglutarateDiethyl 2-acetylglutarate,97%

1,5-diethyl 2-acetylpentanedioateDiethyl alpha-acetylglutarateMFCD00009158Diethyl .alpha.-acetoglutarateDiethyl a-Acetylglutarate2-acetylglutaric Acid Diethyl ester; 2-acetylpentanedioic Acid Diethyl Ester; Diethyl 2-Acetylglutarate; Diethyl 2-Acetylpentanedioate; NSC 42535diethyl acetylglutarateDiethyl alpha-acetoglutarate

데이터베이스 식별자

CAS: 1501-06-0
PubChem CID: 73915
DTXSID: DTXSID301241682
EC Number: 216-114-0
Nikkaji: J26.316H

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 69.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 9
무거운 원자 수: 16
형식 전하: 0
복잡도: 259

물리화학적 성질

끓는 점: 154 °C/11 · 154 °C/11 mmHg (lit.)
밀도: 1.071 g/mL · 1.071 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.439(lit.)
인화점: 230 °F · >230 °F
산도 계수 (pKa): 11.32 · 11.32±0.59(Predicted)
물리적 상태: liquid
Specific Gravity: 1.071 · 1.071
BRN: 1371947 · 1371947
InChI: 1S/C11H18O5/c1-4-15-10(13)7-6-9(8(3)12)11(14)16-5-2/h9H,4-7H2,1-3H3
InChIKey: NNOGMCQLKMLNPL-UHFFFAOYSA-N
SMILES: CCOC(=O)CCC(C(C)=O)C(=O)OCC

화학적 성질

CLEAR COLOURLESS TO LIGHT YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.