2,5-디메톡시테트라히드로푸란

2,5-디메톡시테트라히드로푸란 · DMTHF · DIMETHOXYTETRAHYDROFURAN · TETRAHYDRO-2,5-DIMETHOXYFURAN · 5-DiMethoxytetrahydrofuran · cis,trans-2,5-Dimethoxytetrahydrofuran · Protectol DMT · Dimethoxytetrahydr

https://huagongshe.com/ko/chemical/79098

식별자 및 물리적 특성

CAS No.	696-59-3
분자식	C6H12O3
평균 분자량	132.16 g/mol
단동위원소 질량	132.07864424 g/mol
SMILES	COC1CCC(OC)O1
InChIKey	GFISDBXSWQMOND-UHFFFAOYSA-N
PubChem CID	79098
EC No.	211-797-1
DTXSID	DTXSID10862378
현지명	2,5-디메톡시테트라히드로푸란

화학 및 물리적 성질

XLogP	0.6
극성 표면적	27.7
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	2
무거운 원자 수	9
형식 전하	0
복잡도	74.4
녹는점	-45 °C
끓는 점	145-147 °C(lit.)
밀도	1.023 g/mL at 20 °C(lit.)
증기압	5 hPa (20 °C)
굴절률	n20/D 1.418
인화점	95 °F
저장 조건	Store below +30°C.
용해도	300g/L
물리적 상태	액체
색상	무색투명~미황색
pH	5 (300g/l, H2O, 20℃)
폭발한계	2.0-12.3%(V)
용해도	350g/L(20℃)
BRN	104261
InChI	1S/C6H12O3/c1-7-5-3-4-6(8-2)9-5/h5-6H,3-4H2,1-2H3
InChIKey	GFISDBXSWQMOND-UHFFFAOYSA-N
SMILES	COC1CCC(OC)O1
LogP(분배 계수)	0.34 at 20℃
NIST	Furan, tetrahydro-2,5-dimethoxy-(696-59-3)
EPA	Furan, tetrahydro-2,5-dimethoxy- (696-59-3)

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류	DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 190 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: Furan, tetrahydro-2,5-dimethoxy-Status: Active Update: 23-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/317832,5-Dimethoxytetrahydrofuran: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Flam. Liq. 3 (100%)
수질 위해 등급(WGK)	1
TSCA 등재 상태	TSCA listed
운송 번호(UN)	UN 1993 3/PG 3
독성	LD50 orally in Rabbit: 2040 mg/kg
관세 코드	29321900
위험 문구(R)	10-36/37/38-36-20/21
위험 표시	Xi,Xn
안전 문구(S)	26-36-36/37/39-16
포장분류	III
위험 등급	3Acute Tox. 3 InhalationFlam. Liq. 3Skin Irrit. 2
자연 발화 온도	>205 °C
저장 분류	3 - Flammable liquids

용도

2,5-Dimethoxytetrahydrofuran is a tetrahydrofuran derivative that finds application in proteomics research and in organic synthesis. It is also used as an intermediate for atropine sulfate, which is an anticholinergic drug. Further, it acts as a precursor of butanediol. In addition to this, it is used as a photographic hardener and as disinfectant in formulations.