5-(Hydroxymethyl)oxolan-2-one

HCID 98431CAS 10374-51-3

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C1CCC(CO)O1
InChIKey: NSISJFFVIMQBRN-UHFFFAOYSA-N
分子式: C5H8O3
平均分子量: 116.11 g/mol
単同位体質量: 116.04734412

概要

See also: (5R)-Dihydro-5-(hydroxymethyl)-2(3H)-furanone (annotation moved to).

名称と識別子

優先名称: 5-(Hydroxymethyl)oxolan-2-one
IUPAC: 5-(hydroxymethyl)oxolan-2-one
英語名: 5-(hydroxymethyl)dihydrofuran-2(3H)-one
分子式: C5H8O3
分子量: 116.12

名称と別名

5-(hydroxymethyl)oxolan-2-oneDTXSID00954438RefChem:531305DTXCID901474059839-228-85-(hydroxymethyl)dihydrofuran-2(3H)-one10374-51-35-Hydroxymethyl-dihydro-furan-2-one5-(hydroxymethyl)tetrahydrofuran-2-one2(3H)-Furanone, dihydro-5-(hydroxymethyl)-MFCD005062405-(Hydroxymethyl)dihydro-2(3H)-furanone

名称をさらに表示

5-(hydroxymethyl)-2-oxolanone5-hydroxymethyl-4,5-dihydrofuranone2(3H)-Furanone,dihydro-5-(hydroxymethyl)-5-(hydroxymethyl)dihydrofuran-2(3H)-oneracemate

5-Hydroxymethyldihydrofuran-2-one(S)-(+)-Dihydro-5-(hydroxymethyl)-2(3H)-furanone(R)-(-)-Dihydro-5-(hydroxymethyl)-2(3H)-furanone5-(Hydroxymethyl)oxolane-2-one(S)-(+)-2',3'-DideoxyribonolactoneNSC1283805-(Hydroxymethyl)dihydro-2(3H)-furanone #NSC 128380

データベース識別子

CAS: 10374-51-3、32780-06-6
PubChem CID: 98431
DTXSID: DTXSID001347209
EC Number: 839-228-8
Nikkaji: J863.458K

物性

構造計算による物性

XLogP: -0.4
極性表面積: 46.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 8
形式電荷: 0
複雑度: 99.8

物理化学的性質

沸点: 163 °C · 163 °C(Press: 10 Torr)
比重(密度): 1.224 · 1.224±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · Sealed in dry,Store in freezer, under -20°C
溶解性: Chloroform (Slightly), Methanol (Slightly)
外見: Thick Oil
酸解離定数(Pka): 14.12 · 14.12±0.10(Predicted)
色: Colourless

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.