3-甲基呋喃 (HCID 13587)

概述

3-methylfuran is a member of the class of furans that is furan in which the hydrogen at position 3 is replaced by a methyl group. It is a chemical that is produced in foods during food processing and preservation techniques that involve heat treatment such as cooking and pasteurization. It has a role as a plant metabolite, a fungal metabolite, an Aspergillus metabolite, a Penicillium metabolite and an environmental contaminant. It is a volatile organic compound and a member of furans.

名称与标识

首选名称: 3-Methylfuran
IUPAC: 3-methylfuran
中文名: 3-甲基呋喃
英文名: 3-Methylfuran
分子式: C5H6O
分子量: 82.1

名称与别名

3-METHYLFURAN930-27-8DTXSID102392285R72A0440NNSC-346905CHEBI:172946RefChem:94899DTXCID30161719618-895-7Furan, 3-methyl-3-methylfurane3-methylfuran (stabilized with hq)

展开更多名称

β-甲基呋喃3-甲基呋喃甲醇中3-甲基呋喃3-甲基呋喃-氘代甲基3-甲基呋喃(含稳定剂HQ)3-甲基呋喃(含稳定剂氢醌)3-METHYLFURAN,100NG/UL 标准品3-methyl-fura3-Methylfuran,98%3-Methylfuran, 98% 1GR3-Methylfuran in methanol3-Methylfuran(stabilizedwithHQ)>3-Methylfuran (stabilized with HQ)3-Methylfuran 100 μg/mL in Methanol

MFCD000601343-Methylfuran (stabilised with Hydroquinone)NSC 346905BRN 01042174-methylfuranUNII-5R72A0440N3-methyl-furan3-Methylfuran, AldrichCPR

数据库标识

CAS: 930-27-8
PubChem CID: 13587
DTXSID: DTXSID10239228
ChEBI: CHEBI:172946
UNII: 5R72A0440N
EC Number: 618-895-7
Nikkaji: J69.806G

性质

结构计算性质

XLogP: 1.4
极性表面积: 13.1 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 0
重原子: 6
形式电荷: 0
复杂度: 43.2

实验与物化性质

SpringerMaterials PropertiesSchoenflies notation

物理化学性质

熔点: -94.28 °C · -94.28°C (estimate)
沸点: 65 · 65-66 °C
密度: 0.92 · 0.92
折射率: 1.431 · 1.431-1.433
闪点: -22 °C · -22 °C
储存条件: Refrigerator
溶解度: Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
形态: Liquid
比重: 0.923 · 0.923
颜色: Clear colorless to light yellow
Henry's Law Constant: 3.2 · 3.2×10-3 mol/(m3Pa) at 25℃, Wu et al. (2022)
稳定性: Light sensitive, Very volatile
InChI: InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3
InChIKey: KJRRQXYWFQKJIP-UHFFFAOYSA-N
SMILES: O1C=CC(C)=C1
LogP: 2.157 · 2.157 (est)
CAS 数据库: 930 · 930-27-8(CAS DataBase Reference)
NIST化学物质信息: 3 · Furan, 3-methyl-(930-27-8)

化学性质

无色液体。沸点为65.5℃，相对密度0.932（18/4℃），折光率1.4255（18℃）。溶于乙醇和乙醚，不溶于水。

安全与法规

GHS分类

GHS Classification · 5 条

This chemical does not meet GHS hazard criteria for 6.8% (3 of 44) of reports.

Danger

H302 (86.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P301+P317, P304+P340, P316, P321, P330, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Hazard Classes and CategoriesAcute Tox. 4 (86.4%)

安全数据

wgk: 3
RTECS号: LU2630000
包装类别: II
危险等级: 3
存储类别: 3 - Flammable liquids
安全说明: 45-38-28A-16-18
海关编码: 29321900
危险品标志: T-F,T,F,Xn
危险性类别: Acute Tox. 3 InhalationAcute Tox. 4 Oral
危险类别码: 23-11-22-2017/11/13
危险品运输编号: 1993

化学与工业

应用领域

用途3-甲基呋喃可用作有作有机合成中间体和溶剂。

制备方法

生产方法由3-甲基-2-呋喃羧酸加入干燥的喹啉中，加铜粉作催化剂。加热至约250℃，喹啉呈沸腾状态，反应逸出二氧化碳。反应后进行蒸馏，即得3-甲基呋喃，收率约85%。

上下游产品信息

上游原料

铜糠酸喹啉一氧化异戊二烯 3-甲基-2-糠酸 3-甲基-2-呋喃甲酸甲酯 3,4-环氧-2-甲基-1-丁烯 4-氨基苯甲酸甲酯 3-糠醛异戊二烯

下游产品

3-甲基四氢呋喃 2-甲基呋喃

试剂价格

M0939 · 1G: 3-甲基呋喃(含稳定剂HQ)3-Methylfuran (stabilized with HQ) — 840元
M0939 · 5G: 3-甲基呋喃(含稳定剂HQ)3-Methylfuran (stabilized with HQ) — 3990元

供应商50 家

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

关联笔记

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3-甲基呋喃

基本信息

概述