디에틸3-히드록시글루타레이트

디에틸3-히드록시글루타레이트 · Einecs 250-992-6 · Diethyl 3-hydroxyglu · Diethyl-3-hdroxyglutarate · Levocarnitine Impurity 63 · DIETHYL 3-HYDROXYGLUTARATE · Phenyl Acetate Impurity 62 · Diethyl3-Hydroxyglutarate>iethyl3-hydroxypentanedioate

https://huagongshe.com/ko/chemical/96259

식별자 및 물리적 특성

CAS No.	32328-03-3
분자식	C9H16O5
평균 분자량	204.22 g/mol
단동위원소 질량	204.09977361 g/mol
SMILES	CCOC(=O)CC(O)CC(=O)OCC
InChIKey	OLLQYIBTJXUEEX-UHFFFAOYSA-N
PubChem CID	96259
EC No.	250-992-6
DTXSID	DTXSID10186061
현지명	디에틸3-히드록시글루타레이트

화학 및 물리적 성질

XLogP	0
극성 표면적	72.8
수소 결합 공여자 수	1
수소 결합 수용자 수	5
회전 가능 결합 수	8
무거운 원자 수	14
형식 전하	0
복잡도	170
끓는 점	156-157 °C/23 mmHg (lit.)
밀도	1.103 g/mL at 25 °C (lit.)
굴절률	n20/D 1.439(lit.)
인화점	>230 °F
저장 조건	Sealed in dry,Room Temperature
물리적 상태	투명한 액체
pKa(산도 계수)	13.60±0.20(Predicted)
색상	무색~연황색
BRN	1709448
InChI	InChI=1S/C9H16O5/c1-3-13-8(11)5-7(10)6-9(12)14-4-2/h7,10H,3-6H2,1-2H3
InChIKey	OLLQYIBTJXUEEX-UHFFFAOYSA-N
SMILES	C(OCC)(=O)CC(O)CC(OCC)=O
NIST	Diethyl 3-hydroxyglutarate(32328-03-3)

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH315 (50%): 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (50%)
수질 위해 등급(WGK)	3
관세 코드	29181990
안전 문구(S)	23-24/25
저장 분류	10 - Combustible liquids

용도

Diethyl 3-hydroxyglutarate (D3HG) is an important organic compound or pharmaceutical intermediate ingredient. It has antihypercholesterolaemic properties. D3HG can be hydrolysed enzymatically to produce the major enantiomer pure mono ester (3S)-4-carbamoyl-3-hydroxybutanoate ethyl ester.