3,4-ジヒドロ-2H-ピラン-2-メタノール

3,4-dihydro-2H-pyran-2-methanol

HCID 95559

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 3749-36-8
標準SMILES: OCC1CCC=CO1
InChIKey: XMICBFRKICBBKD-UHFFFAOYSA-N
分子式: C6H10O2
平均分子量: 114.14 g/mol
単同位体質量: 114.06807956

名称と識別子

優先名称: 3,4-dihydro-2H-pyran-2-methanol
IUPAC: 3,4-dihydro-2H-pyran-2-ylmethanol
現地名: 3,4-ジヒドロ-2H-ピラン-2-メタノール
英語名: 3,4-Dihydro-2H-pyran-2-methanol
分子式: C6H10O2
分子量: 114.14

名称と別名

3,4-Dihydro-2H-pyran-2-methanol3749-36-82H-Pyran-2-methanol, 3,4-dihydro-AI3-24752EINECS 223-150-0DTXSID301305096NSC 20753RefChem:486150DTXCID10930364223-150-02-Hydroxymethyl-3,4-dihydro-2H-pyran3,4-Dihydro-2H-pyran-2-ylmethanol

名称をさらに表示

3,4-ジヒドロ-2H-ピラン-2-メタノール2-(ヒドロキシメチル)-3,4-ジヒドロ-2H-ピラン2-ヒドロキシメチル-3,4-ジヒドロ-2H-ピラン3,4-ジヒドロ-2-(ヒドロキシメチル)-2H-ピラン(3,4-ジヒドロ-2H-ピラン-2-イル)メタノールDHP LINKER, 99% MIN.DHP Linker (2--3,4-)Dihydro-2H-pyran-2-Me3,4-DIHYDRO-2H-PYRANE-2-METHANOL2-Hydroxymethyl-3,4-dihydropyran3,4-Dihydroxy-2H-pyran-2-Methanol

DHP linker(3,4-dihydro-2H-pyran-2-yl)methanolMFCD00051507hydroxymethyldihydro-pyranNSC20753M02893NSC-20753HY-34692

データベース識別子

CAS: 3749-36-8
PubChem CID: 95559
DTXSID: DTXSID301305096
EC Number: 223-150-0
Nikkaji: J217.647E

物性

構造計算による物性

XLogP: 0.5
極性表面積: 29.5 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 8
形式電荷: 0
複雑度: 88

物理化学的性質

沸点: 92 · 92-93 °C25 mm Hg(lit.)
比重(密度): 1.101 g/mL · 1.101 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.478(lit.)
闪点: 85 °C · 85°C
貯蔵温度: 2 · 2-8°C
溶解性: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
酸解離定数(Pka): 14.34 · 14.34±0.10(Predicted)
外見: clear liquid
色: Colorless to Almost colorless
BRN: 107275 · 107275
InChI: InChI=1S/C6H10O2/c7-5-6-3-1-2-4-8-6/h2,4,6-7H,1,3,5H2
InChIKey: XMICBFRKICBBKD-UHFFFAOYSA-N
SMILES: C1(CO)OC=CCC1
CAS データベース: 3749 · 3749-36-8(CAS DataBase Reference)

化学的性質

化学的特性liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.