2H-Pyran-3(4H)-one, dihydro-

Tetrahydropyran-3-One · oxan-3-one · DIHYDRO-PYRAN-3-ONE · 2H-PYRAN-3(4H)-ONE · tetrahydro-2H-3-pyranone · Tetrahydro-2H-pyran-3-one · 2H-PYRAN-3(4H)-ONE, DIHYD... · 2H-Pypan-3(4H)-one, dihydro-

https://huagongshe.com/ko/chemical/90109

식별자 및 물리적 특성

CAS No.	23462-75-1
분자식	C5H8O2
평균 분자량	100.12 g/mol
단동위원소 질량	100.0524295 g/mol
SMILES	O=C1CCCOC1
InChIKey	URUUZIAJVSGYRC-UHFFFAOYSA-N
PubChem CID	90109
EC No.	813-813-8
DTXSID	DTXSID40178015

화학 및 물리적 성질

XLogP	0
극성 표면적	26.3
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	0
무거운 원자 수	7
형식 전하	0
복잡도	78.1
물질 분류	Other Classes -> Other Organic Compounds
끓는 점	55 °C(Press: 12 Torr)
밀도	1.0856 g/cm3
저장 조건	Inert atmosphere,Store in freezer, under -20°C
물리적 상태	액체
색상	무색
InChI	InChI=1S/C5H8O2/c6-5-2-1-3-7-4-5/h1-4H2
InChIKey	URUUZIAJVSGYRC-UHFFFAOYSA-N
SMILES	C1OCCCC1=O

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.WarningH226 (40%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, 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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 요약	See Tetrahydropyran and 3,4-Dihydropyran.
Hazard Classes and Categories	Flam. Liq. 3 (40%)
관세 코드	2932990090
위험 등급	IRRITANT

용도

Dihydro-2H-pyran-3(4H)-one is a general chemical reagent used in the synthesis of pharmaceuticals such as the preparation of tetrahydropyran-2-yl chromans, a highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE) inhibitor.