5,6-ジヒドロ-2H-ピラン-3(4H)-オン

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

HCID 90109CAS 23462-75-1

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C1CCCOC1
InChIKey: URUUZIAJVSGYRC-UHFFFAOYSA-N
分子式: C5H8O2
平均分子量: 100.12 g/mol
単同位体質量: 100.0524295

名称と識別子

優先名称: 2H-Pyran-3(4H)-one, dihydro-
IUPAC: oxan-3-one
現地名: 5,6-ジヒドロ-2H-ピラン-3(4H)-オン
英語名: 2H-PYRAN-3(4H)-ONE, DIHYDRO-
分子式: C5H8O2
分子量: 100.12

名称と別名

Dihydro-2H-pyran-3(4H)-one2H-Pyran-3(4H)-one, dihydro-Tetrahydropyran-3-one3-TetrahydropyranoneDTXSID40178015RefChem:90147DTXCID70100506813-813-8InChI=1/C5H8O2/c6-5-2-1-3-7-4-5/h1-4HURUUZIAJVSGYRC-UHFFFAOYSA-N23462-75-1oxan-3-one

名称をさらに表示

テトラヒドロ-2H-ピラン-3-オンジヒドロ-2H-ピラン-3(4H)-オン5,6-ジヒドロ-2H-ピラン-3(4H)-オンオキサン-3-オンDIHYDRO-PYRAN-3-ONEtetrahydro-2H-3-pyranoneTetrahydro-2H-pyran-3-one2H-PYRAN-3(4H)-ONE, DIHYD...2H-Pypan-3(4H)-one, dihydro-Dihydro-2H-pyran-3(4H)-one 97%

dihydropyran-3-oneMFCD001824262H-pyran-3(4H)-oneAKOS006282290PB27461DS-11715EN300-72286LEAD(II)ACETYLACETONATE

データベース識別子

CAS: 23462-75-1
PubChem CID: 90109
DTXSID: DTXSID40178015
EC Number: 813-813-8
Nikkaji: J113.106K

物性

構造計算による物性

XLogP: 0
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 7
形式電荷: 0
複雑度: 78.1

実験および物理化学的性質

Chemical ClassesOther Classes -> Other Organic Compounds

物理化学的性質

沸点: 55 °C · 55 °C(Press: 12 Torr)
比重(密度): 1.0856 g/cm3 · 1.0856 g/cm3
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C
外見: liquid
色: Colourless
InChI: InChI=1S/C5H8O2/c6-5-2-1-3-7-4-5/h1-4H2
InChIKey: URUUZIAJVSGYRC-UHFFFAOYSA-N
SMILES: C1OCCCC1=O

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H226 (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.

危険有害性情報

Hazards SummarySee Tetrahydropyran and 3,4-Dihydropyran.

Hazard Classes and CategoriesFlam. Liq. 3 (40%)

安全データ

hs_code: 2932990090
hazard_class: IRRITANT

化学と産業

応用分野 · 1 件

使用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.