Dihydro-2-methyl-3(2H)-furanone (HCID 18522)

概要

Dihydro-2-methyl-3(2H)-furanone is a member of oxolanes.

名称と識別子

優先名称: Dihydro-2-methyl-3(2H)-furanone
IUPAC: 2-methyloxolan-3-one
現地名: 2-メチルテトラヒドロフラン-3-オン
英語名: 2-Methyltetrahydrofuran-3-one
分子式: C5H8O2
分子量: 100.12

名称と別名

2-METHYLTETRAHYDROFURAN-3-ONE3188-00-93(2H)-Furanone, dihydro-2-methyl-Dihydro-2-methyl-3(2H)-furanoneDihydro-2-methyl-3-furanone2-Methyl-3-oxotetrahydrofuran2-Methyl-3-ketotetrahydrofuranFEMA No. 33732-Methyl-2H-furan-3-oneDTXSID9047677I3703CL967DTXCID7027677

名称をさらに表示

2-メチルテトラヒドロフラン-3-オン4,5-ジヒドロ-2-メチルフラン-3(2H)-オン2-メチル-4,5-ジヒドロ-3(2H)-フラノン2-メチルジヒドロフラン-3(2H)-オン2-メチル-4,5-ジヒドロフラン-3(2H)-オン4,5-ジヒドロ-2-メチル-3(2H)-フラノンジヒドロ-2-メチル-3(2H)-フラノンテトラヒドロ-2-メチルフラン-3-オン2-メチルテトラヒドロ-3-フラノン2-メチルテトラヒドロフラン-3-オン, 98%2-メチルオキソラン-3-オンCOFFEE FURANONEFEMA 3373Dihyro-2-methyl-3(2H)-furanoneBread KetoneNatural Bread Ketone

RefChem:88395221-685-42-Methyloxolan-3-one2-Methyltetrahydro-3-furanone2-Methyl tetrahydro-3-furanoneTetrahydro-2-methylfuran-3-one2-Methyl-4,5-dihydro-3(2H)-furanone2-Methyldihydrofuran-3(2H)-one

データベース識別子

CAS: 3188-00-9
PubChem CID: 18522
DTXSID: DTXSID9047677
ChEMBL: CHEMBL3188615
ChEBI: CHEBI:173339
UNII: I3703CL967
EC Number: 221-685-4
Nikkaji: J75.503F

物性

構造計算による物性

XLogP: 0
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 7
形式電荷: 0
複雑度: 88.1

実験および物理化学的性質

FragrancesFragrance Ingredient (2-Methyltetrahydrofuran-3-one) -> IFRA transparency List

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density1.180-1.185

Flavoring AgentsEU Flavoring substances

Solubility · 3 件

slightly

Slightly soluble in oils

Soluble (in ethanol)

Boiling Point · 2 件

138.00 to 139.00 °C. @ 760.00 mm Hg

139 °C

物理化学的性質

沸点: 139 °C · 139 °C (lit.)
比重(密度): 1.034 g/mL · 1.034 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.429(lit.)
FEMA: 3373 · 3373 | 2-METHYLTETRAHYDROFURAN-3-ONE
闪点: 103 °F · 103 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: clear liquid
色: Colorless to Yellow to Green
比重: 1.034 · 1.034
臭い (Odor): 10 %。甘い溶剤のパンバターナッツのような · ジプロピレングリコール中10.00%。甘い溶剤のパンバターナッツのような
においのタイプ: パンっぽい
由来生物: synthetic
JECFA Number: 1448 · 1448
BRN: 1341334 · 1341334
主な用途: フレーバーそして香料
InChI: 1S/C5H8O2/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3
InChIKey: FCWYQRVIQDNGBI-UHFFFAOYSA-N
SMILES: CC1OCCC1=O
LogP: -0.65 · -0.65
CAS データベース: 3188 · 3188-00-9(CAS DataBase Reference)
NISTの化学物質情報: 3 · 3(2H)-Furanone, dihydro-2-methyl-(3188-00-9)
EPAの化学物質情報: 3 · 3(2H)-Furanone, dihydro-2-methyl- (3188-00-9)

化学的性質

化学的特性2-Methyltetrahydrofuran-3-one has an odor reminiscent of wintergreen.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1664 reports by companies from 6 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 4 件

Chemical: 3(2H)-Furanone, dihydro-2-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 12-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/26300

3(2H)-Furanone, dihydro-2-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

F: 3-9
wgk: 3
tsca: TSCA listed
rtecs: LU3579000
ridadr: UN 1224 3/PG 3
hs_code: 29329990
risk_code: 10-22-36/37/38-2017/10/2
消防法: 危-4-2-III
hazard_code: Xn,T,Xi
hazard_note: Toxic
safety_code: 16-26-36/37/39-24/25-36
hazard_class: 3
packing_group: III
Hazard Classifications: Acute Tox. 4 OralFlam. Liq. 3
ストレージクラス: 3 - Flammable liquids

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

Use Classification · 4 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information3(2H)-Furanone, dihydro-2-methyl-: ACTIVE

応用分野 · 4 件

用途有機合成原料。

説明2-Methyltetrahydrofuran-3-one has a bread, buttery topnote. May be prepared by hydrolytic decarboxylation of 2-methyl-4-carbomethoxytetrahydrofuran- 3-one; by acid-catalyzed ring closure of p-alkoxy- diazoketones.

天然物の起源Reported found as a constituent in coffee aroma; also as a volatile flavor component in roasted filbert nuts. Also reported found in guava, raisin, pineapple, onion, baked and fried potato, tomato, wheat bread, crispbread, smoked fish, cooked beef and pork, pork liver, rum, cocoa, coffee, peanuts, potato chips, passion fruit, beans, mushroom, tamarind, sweet potato, licorice, malt, dried bonito, cherimoya, okra and maté

使用2-Methyltetrahydro-3-furanone has been employed as an quorum sensing inhibitor-molecule to investigate its effect on growth and biofilm formation in Hafnia alvei.

調製方法

製造方法By hydrolytic decarboxylation of 2-methyl-4-carbomethoxytetrahydrofuran-3-one; by acid-catalyzed ring closure of β-alkoxy-diazoketones

上流・下流製品情報

上流原料

1,3-Dithiane-2-ethanol, 2-(1-hydroxyethyl)-, (R)- (9CI)D-[13C5]Xylose 3-メルカプト-2-ペンタノン 2-メチル-3-(メチルチオ)フランチアミン L-システイン α-アセチル-γ-ブチロラクトン 3-メルカプト-2-ブタノン 2-メチル-3-フランチオール

下流製品

フルフラール

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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]

枣庄九星生物科技有限公司0632-3759569 13589608009

INTATRADE GmbH+49 3493/605464 · [email protected]

2-メチルテトラヒドロフラン-3-オン

基本情報

概要