2,5-푸란디메탄올

2,5-푸란디메탄올 · furan-2,5-diyldimethanol · 2,5-dihydroxymethylfuran · 2,5-BIS(HYDROXYMETHYL)FURAN · NSC 40737 · FaRez 6305 · NSC 524614 · 5-Furandimethanol

https://huagongshe.com/ko/chemical/74663

식별자 및 물리적 특성

CAS No.	1883-75-6
분자식	C6H8O3
평균 분자량	128.13 g/mol
단동위원소 질량	128.04734412 g/mol
SMILES	OCc1ccc(CO)o1
InChIKey	DSLRVRBSNLHVBH-UHFFFAOYSA-N
PubChem CID	74663
ChEMBL	CHEMBL4303433
ChEBI	CHEBI:59984
EC No.	217-544-1
DTXSID	DTXSID2062036
현지명	2,5-푸란디메탄올

화학 및 물리적 성질

XLogP	-0.7
극성 표면적	53.6
수소 결합 공여자 수	2
수소 결합 수용자 수	3
회전 가능 결합 수	2
무거운 원자 수	9
형식 전하	0
복잡도	74.4
물질 분류	Other Classes -> Other Organic Compounds
Physical Description	Solid[Aldrich MSDS]
녹는점	74-77 °C
끓는 점	275 °C
밀도	1.283
인화점	120 °C
저장 조건	Sealed in dry,2-8°C
용해도	아세토니트릴(약간), DMSO(약간)에 용해됨
물리적 상태	고체
pKa(산도 계수)	13.74±0.10(Predicted)
색상	황백색에서 밝은 노란색까지
InChI	InChI=1S/C6H8O3/c7-3-5-1-2-6(4-8)9-5/h1-2,7-8H,3-4H2
InChIKey	DSLRVRBSNLHVBH-UHFFFAOYSA-N
SMILES	O1C(CO)=CC=C1CO
LogP(분배 계수)	-1.326 (est)
EPA	2,5-Furandimethanol (1883-75-6)

화학적 성질

Off-White to Pale Yellow Solid

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.WarningH302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.2,5-Furandimethanol: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약	An eye irritant[Aldrich MSDS] See Furan and Methyl alcohol.
Hazard Classes and Categories	Acute Tox. 4 (60%)
TSCA 등재 상태	TSCA listed
관세 코드	29321900
안전 문구(S)	24/25

용도

개요

5-(Hydroxymethyl)furfuryl alcohol is a heterocyclic organic compound that is naturally produced by certain wood-inhabiting fungi. It can be derived by the reduction of the formyl group of 5-hydroxymethylfurfural. 5-(Hydroxymethyl)furfuryl alcohol can be used as a building block in the enzymatic synthesis of biobased polyesters.

용도

5-(Hydroxymethyl)furfuryl Alcohol is a secondary metabolite of Xylaramide, a new antifungal compound.