5-乙酰氧基甲基-2-呋喃醛

5-Acetoxymethyl-2-furaldehyde

HCID 66349CAS 10551-58-3

子结构检索查找相似结构

基本信息

标准SMILES: CC(=O)OCc1ccc(C=O)o1
InChIKey: QAVITTVTXPZTSE-UHFFFAOYSA-N
分子式: C8H8O4
平均分子量: 168.15 g/mol
单同位素质量: 168.04225874

概述

a sweet taste modulator; isolated from balsamic vinegar of Modena; structure in first source

名称与标识

首选名称: 5-Acetoxymethyl-2-furaldehyde
IUPAC: (5-formylfuran-2-yl)methyl acetate
中文名: 5-乙酰氧基甲基-2-呋喃醛
英文名: 5-Acetoxymethyl-2-furaldehyde
分子式: C8H8O4
分子量: 168.15

名称与别名

5-Acetoxymethyl-2-furaldehydeRefChem:53604510551-58-3(5-formylfuran-2-yl)methyl acetate5-Formylfurfuryl acetate5-Acetoxymethylfurfural5-(ACETOXYMETHYL)FURFURAL(5-Formyl-2-furyl)methyl acetateMFCD000032332-Furancarboxaldehyde, 5-[(acetyloxy)methyl]-5HH6180XYD5-acetoxymethyl-2-furanaldehyde

展开更多名称

5-乙酰氧基甲基呋喃醛5-乙酰甲基-2-糠醛5-乙酰氧基甲基-2-糠醛5-乙酰氧基甲基-2-呋喃醛1,3-二羟基-9H-黄原-9-酮5-乙酰氧基甲基-2-糠醛,TECH.5-Acetoxymehtylfurfural5-ForMyl-2-furfuryl Acetate5-Acetoxymethylfurfural >5-Formyll-2-furfuryl acetate5-acetoxymethyl-2furaladehyde5-(Acetoxymethyl)furfural (AMF)

5-ACETOXYMETHYL-2-FURFURAL5-Acetoxymethyl-2-furaldehyde, 99%AKOS0159134435-(acetyloxy) methyl-2-furancarboxaldehyde5-ACETOXYMETHYL-2-FURANCARBOXALDEHYDE2-FURANCARBOXALDEHYDE, 5-((ACETYLOXY)METHYL)-UNII-5HH6180XYDEINECS 234-137-4

数据库标识

CAS: 10551-58-3
PubChem CID: 66349
DTXSID: DTXSID00147166
UNII: 5HH6180XYD
EC Number: 234-137-4
Nikkaji: J37.050I

性质

结构计算性质

XLogP: 0.5
极性表面积: 56.5 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 4
重原子: 12
形式电荷: 0
复杂度: 178

物理化学性质

熔点: 53 · 53-55 °C (lit.)
沸点: 122 °C · 122 °C / 2mmHg
密度: 1.23 · 1.230
折射率: 1.4611 · 1.4611 (estimate)
闪点: 226 °F · 226 °F
储存条件: Freezer
溶解度: Chloroform (Slightly), Methanol (Slightly)
形态: Crystals
颜色: Brown
敏感性: Air Sensitive
InChI: 1S/C8H8O4/c1-6(10)11-5-8-3-2-7(4-9)12-8/h2-4H,5H2,1H3
InChIKey: QAVITTVTXPZTSE-UHFFFAOYSA-N
SMILES: [H]C(=O)c1ccc(COC(C)=O)o1
CAS 数据库: 10551 · 10551-58-3(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory.

危害信息

Hazard Classes and CategoriesEye Irrit. 2 (100%)

安全数据

wgk: 3
存储类别: 11 - Combustible Solids
安全说明: 24/25
海关编码: 29321900

化学与工业

上下游产品信息

上游原料

醋酸钠乙酐 5-羟甲基糠醛乙醚无水硫酸镁

试剂价格

XW021055158304 · 5g: 1,3-二羟基-9H-黄原-9-酮(5-Formylfuran-2-yl)methyl acetate — 306元
XW021055158303 · 1g: 1,3-二羟基-9H-黄原-9-酮(5-Formylfuran-2-yl)methyl acetate — 75元