CAS 4358-64-9 1,4-Anhydroerythritol (HCID 641773)

名称と識別子

優先名称: 1,4-Anhydroerythritol
IUPAC: (3R,4S)-oxolane-3,4-diol
現地名: 1,4-アンヒドロエリトリトール
英語名: 1,4-Anhydroerythritol
分子式: C4H8O3
分子量: 104.1

名称と別名

1,4-AnhydroerythritolRefChem:3397414358-64-9cis-Tetrahydrofuran-3,4-diol(3R,4S)-tetrahydrofuran-3,4-diolErythritan(3R,4S)-oxolane-3,4-diol1,4-Anhydro-D-erythritolMFCD00075210cis-3,4-DihydroxytetrahydrofuranSCHEMBL196429(3R, 4S)-tetrahydrofuran-3,4-diol

名称をさらに表示

1,4-アンヒドロエリトリトールテトラヒドロフラン-3β,4β-ジオール(3R,4S)-テトラヒドロ-3,4-フランジオール(3S,4R)-テトラヒドロフラン-3,4-ジオール(3S,4R)-テトラヒドロ-3,4-フランジオール(3R)-テトラヒドロフラン-3β,4β-ジオール(3S)-テトラヒドロフラン-3α,4α-ジオール1,4-アンヒドロ-L-トレイトールテトラヒドロフラン-3α,4β-ジオールエリトリタン1,4-アンヒドロ-D-エリトリトール(3R,4S)-テトラヒドロフラン-3,4-ジオール(3S)-テトラヒドロフラン-3α,4β-ジオール(3S,4S)-テトラヒドロフラン-3,4-ジオールテトラヒドロフラン-3α,4α-ジオールcis-3,4-テトラヒドロフランジオール(3R,4S)-オキソラン-3,4-ジオールL-THREITANCPD0058-SMMeso-3,4-Dihydroxolane-3,4-diolanhydroerythritol4-Anhydroerythritol

AKOS016011113(3~{S},4~{R})-oxolane-3,4-diolAS-33974(3S,4R)-Tetrahydrofuran-3,4-diolCS-0049648IJ8cis-Oxolane-3,4-diolcis-3,4-Dihydroxyoxolane

データベース識別子

CAS: 4358-64-9
PubChem CID: 641773
DTXSID: DTXSID401318325
EC Number: 224-433-1
Nikkaji: J205.737I

物性

構造計算による物性

XLogP: -1.4
極性表面積: 49.7 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 7
形式電荷: 0
複雑度: 56

物理化学的性質

融点: 173 · 173-174 °C
沸点: 160 · 160-165 °C(Press: 0.17 Torr)
比重(密度): 1.27 g/mL · 1.27 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.477(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · 2-8°C
外見: powder to lump to clear liquid
酸解離定数(Pka): 13.66 · 13.66±0.40(Predicted)
色: White or Colorless to Almost white or Almost colorless
InChI: InChI=1/C4H8O3/c5-3-1-7-2-4(3)6/h3-6H,1-2H2/t3-,4+
InChIKey: SSYDTHANSGMJTP-ZXZARUISNA-N
SMILES: O1C[C@H](O)[C@H](O)C1 |&1:2,4,r|

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.；There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (50%)

安全データ

wgk: 3
hs_code: 2932190090
消防法: 危-4-3-III
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 2 件

使用1,4-Anhydroerythritol is a tetrahydrofuran derivative used as a heterocyclic building block in epoxy resins and other polymers. 1,4-Anhydroerythritol is also used in the preparation of nucleotide anal ogs as potential antiviral and anticancer agents.

一般的な説明1,4-Anhydroerythritol is a cyclic vicinal diol. 1,4-Anhydroerythritol undergoes hydrodeoxygenation over tungsten oxide-palladium catalysts to yield 3-hydroxytetrahydrofuran.