메틸푸란-3-카르복실레이트

메틸푸란-3-카르복실레이트 · Nsc305748 · 3-furoic ester · METHYL 3-FUROATE · RARECHEM AL BF 0196 · METHYL 3-FURANCARBOXYLATE · thyl furan-3-carboxylate · 3-Methyl furan carboxylate

https://huagongshe.com/ko/chemical/14918

식별자 및 물리적 특성

CAS No.	13129-23-2
분자식	C6H6O3
평균 분자량	126.11 g/mol
단동위원소 질량	126.03169405 g/mol
SMILES	COC(=O)c1ccoc1
InChIKey	ZKHQSQYLKSSYIP-UHFFFAOYSA-N
PubChem CID	14918
EC No.	672-679-7
DTXSID	DTXSID00871954
현지명	메틸푸란-3-카르복실레이트

화학 및 물리적 성질

XLogP	1.3
극성 표면적	39.4
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	2
무거운 원자 수	9
형식 전하	0
복잡도	111
Kovats Retention Index	934.4
녹는점	64-67 °C
끓는 점	64°C/4mmHg
밀도	1.17
굴절률	1.4670 to 1.4700
저장 조건	Inert atmosphere,Room Temperature
물리적 상태	투명한 액체
색상	Colorless to Light yellow to Light orange
InChI	InChI=1S/C6H6O3/c1-8-6(7)5-2-3-9-4-5/h2-4H,1H3
InChIKey	ZKHQSQYLKSSYIP-UHFFFAOYSA-N
SMILES	O1C=CC(C(OC)=O)=C1
NIST	3-Furancarboxylic acid, methyl ester(13129-23-2)

화학적 성질

Pale yellow to colorless liquid

안전 및 규제

GHS 분류	WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 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	Flam. Liq. 3 (100%)Skin Irrit. 2 (66.7%)Eye Irrit. 2A (66.7%)STOT SE 3 (66.7%)
운송 번호(UN)	UN 3272 3/PG III
관세 코드	2932190090
포장분류	III
위험 등급	3