3-Methylfuran (HCID 13587)

概要

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.

名称と識別子

優先名称: 3-Methylfuran
IUPAC: 3-methylfuran
現地名: 3-メチルフラン
英語名: 3-Methylfuran
分子式: C5H6O
分子量: 82.1

名称と別名

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

名称をさらに表示

3-メチルフラン3‐メチルフラン3-メチルフラン (STABILISED WITH HYDROQUINONE)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

データベース識別子

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

物性

構造計算による物性

XLogP: 1.4
極性表面積: 13.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 6
形式電荷: 0
複雑度: 43.2

実験および物理化学的性質

SpringerMaterials PropertiesSchoenflies notation

物理化学的性質

融点: -94.28 °C · -94.28°C (estimate)
沸点: 65 · 65-66 °C
比重(密度): 0.92 · 0.92
屈折率: 1.431 · 1.431-1.433
闪点: -22 °C · -22 °C
貯蔵温度: Refrigerator
溶解性: Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
外見: 液体
比重: 0.923 · 0.923
色: 無色透明～薄黄色
Henry's Law Constant: 3.2 · 3.2×10-3 mol/(m3Pa) at 25℃, Wu et al. (2022)
安定性: 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 データベース: 930 · 930-27-8(CAS DataBase Reference)
NISTの化学物質情報: 3 · Furan, 3-methyl-(930-27-8)

化学的性質

化学的特性Clear liquid

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (86.4%)

安全データ

wgk: 3
rtecs: LU2630000
ridadr: 1993
hs_code: 29321900
risk_code: 23-11-22-2017/11/13
消防法: 危-4-1-II
hazard_code: T-F,T,F,Xn
safety_code: 45-38-28A-16-18
hazard_class: 3
packing_group: II
Hazard Classifications: Acute Tox. 3 InhalationAcute Tox. 4 Oral
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野

用途有機合成原料。

使用3-Methylfuran is a volatile organic compound (VOCs) used as a potential non-intrusive tool for screening of lung cancer.

上流・下流製品情報

上流原料

銅 2-フランカルボン酸キノリン Furan, 2,3-dihydro-3-methylene-3-Butyn-1-ol, 2-methylene-4-(trimethylsilyl)-2-メチレン-3-ブチン-1-オール (Z)-2-Methylbut-2-ene-1,4-diol 3,4-エポキシ-3-メチル-1-ブテン 3-メチル-2-フランカルボン酸 3-メチル-2-フランカルボン酸メチル 3,4-epoxy-2-methyl-1-butene 4-アミノ安息香酸メチル

下流製品

3-メチルテトラヒドロフラン 2-メチルフラン

サプライヤー50 社

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]

3-メチルフラン

基本情報

概要