Ethyl 2-furoate

ETHYL FUROATE · ETHYL PYROMUCATE · RARECHEM AL BI 0007 · ethyl α-furancarboxylate · ETHYL 2-FURANCARBOXYLATE · 2-FUROIC ACID ETHYL ESTER · ETHYL 2-FUROATE USP/EP/BP · Furancarboxylic acid, ethyl ester

https://huagongshe.com/ko/chemical/11980

식별자 및 물리적 특성

CAS No.	1335-40-6
분자식	C7H8O3
평균 분자량	140.14 g/mol
단동위원소 질량	140.04734412 g/mol
SMILES	CCOC(=O)c1ccco1
InChIKey	NHXSTXWKZVAVOQ-UHFFFAOYSA-N
PubChem CID	11980
ChEMBL	CHEMBL4634762
ChEBI	CHEBI:169174
EC No.	210-404-0
DTXSID	DTXSID0060640

화학 및 물리적 성질

XLogP	1.5
극성 표면적	39.4
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	3
무거운 원자 수	10
형식 전하	0
복잡도	122
SpringerMaterials Properties	Boiling point
LogP(분배 계수)	1.57
밀도	1.1174 @ 21°C1.117 g/mL at 25 °C(lit.)
향미제	EU Flavoring substances
끓는 점	196.8 °C @760 [mm Hg]196 °C(lit.)
녹는점	34.5 °C32-37 °C(lit.)
인화점	158 °F
저장 조건	2-8°C
InChI	InChI=1S/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3
InChIKey	NHXSTXWKZVAVOQ-UHFFFAOYSA-N
SMILES	C1(OC=CC=1)C(=O)OCC
LogP(분배 계수)	1.612 (est)

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 98.9% (89 of 90) of all reports.Not ClassifiedAggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory.
규제 정보	Chemical: 2-Furancarboxylic acid, ethyl esterCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)2-Furancarboxylic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Not Classified
Protective Action Criteria (PAC)	0.59 [mg/m3]6.5 [mg/m3]39 [mg/m3]
수질 위해 등급(WGK)	3
RTECS 번호	LV1850000
위험 문구(R)	11
위험 표시	F
안전 문구(S)	16