옥살산1-에틸에스테르

옥살산1-에틸에스테르 · Oxalic acid Monoethyl ester · xalic acid 1-ethyl ester · Oxalic acid 1-ethyl ester · (ethoxycarbonyl)formic acid · Ethanedioic acid 1-ethyl ester · Oxalic acid Monoethyl ester 98% · Oxalic acid hydrogen ethyl ester

https://huagongshe.com/ko/chemical/74701

식별자 및 물리적 특성

CAS No.	617-37-8
분자식	C4H6O4
평균 분자량	118.09 g/mol
단동위원소 질량	118.02660867 g/mol
SMILES	CCOC(=O)C(=O)O
InChIKey	JRMAQQQTXDJDNC-UHFFFAOYSA-N
PubChem CID	74701
EC No.	624-672-5
DTXSID	DTXSID00275731
현지명	옥살산1-에틸에스테르

화학 및 물리적 성질

XLogP	0.4
극성 표면적	63.6
수소 결합 공여자 수	1
수소 결합 수용자 수	4
회전 가능 결합 수	3
무거운 원자 수	8
형식 전하	0
복잡도	107
녹는점	195 °C (decomp)
끓는 점	204.7±23.0 °C(Predicted)
밀도	1.274±0.06 g/cm3(Predicted)
굴절률	n20/D1.424
저장 조건	Sealed in dry,Store in freezer, under -20°C
용해도	soluble in DMSO, Ethyl Acetate
pKa(산도 계수)	1.53±0.54(Predicted)
물리적 상태	기름
색상	연한 갈색
InChI	1S/C4H6O4/c1-2-8-4(7)3(5)6/h2H2,1H3,(H,5,6)
InChIKey	JRMAQQQTXDJDNC-UHFFFAOYSA-N
SMILES	CCOC(=O)C(O)=O

안전 및 규제

GHS 분류	DangerH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]P233, P260, P264+P265, P271, P280, P284, P304+P340, P305+P351+P338, P337+P317, P342+P316, P403, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 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.
Hazard Classes and Categories	Eye Irrit. 2 (100%)Resp. Sens. 1 (100%)
수질 위해 등급(WGK)	WGK 3
위험 문구(R)	36-43
위험 표시	Xi
안전 문구(S)	26-36/37
위험 등급	Eye Irrit. 2Resp. Sens. 1
저장 분류	12 - Non Combustible Liquids

용도

Oxalic Acid Ethyl Ester is a useful synthetic intermediate. It is used to synthesize 2-substituted 3-aryl-4(3H)-quinazolinones with anticonvulsant activities. It is also used to prepare nonbenzamidine tetrazole derivatives as factor Xa inhibitors.