Ethyl Maltol (HCID 21059)

概要

Ethyl maltol is a pyranone.

名称と識別子

優先名称: Ethyl Maltol
IUPAC: 2-ethyl-3-hydroxypyran-4-one
現地名: 2-エチル-3-ヒドロキシ-4-ピロン
英語名: Ethyl maltol
分子式: C7H8O3
分子量: 140.14

名称と別名

Ethyl maltol2-Ethyl-3-hydroxy-4H-pyran-4-one4940-11-82-Ethyl-3-hydroxy-4-pyroneEthylmaltolVeltol plus3-Hydroxy-2-ethyl-4-pyrone2-ethyl-3-hydroxypyran-4-one2-Ethylpyromeconic acid4H-PYRAN-4-ONE, 2-ETHYL-3-HYDROXY-2-Ethyl pyromeconic acidDTXSID5041516

名称をさらに表示

2-エチル-3-ヒドロキシ-4-ピロン3-ヒドロキシ-2-エチル-4-ピロンエチルマルトール2-エチル-3-ヒドロキシ-4H-ピラン-4-オン2-エチルピロメコン酸ベルトールプラス3-ヒドロキシ-2-エチル-4H-ピラン-4-オンエチルマルト-ルエチルヒドロキシピロンFEMA 34876-ETHYL-3-HYDROXY-2-METHYL-4H-PYRAN-4-ONE2-ethyl-3-hydroxy-4-pyranoneveltolplusethyl mantol

Ethyl HydroxypyroneFEMA No. 3487L6Q8K29L05NSC638851NSC-638851DTXCID3021516RefChem:138985225-582-5

データベース識別子

CAS: 4940-11-8
PubChem CID: 21059
DTXSID: DTXSID5041516
ChEMBL: CHEMBL121557
ChEBI: CHEBI:169105
UNII: L6Q8K29L05
EC Number: 225-582-5
Nikkaji: J35.389B

物性

構造計算による物性

XLogP: 0.8
極性表面積: 46.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 213

実験および物理化学的性質

FragrancesFragrance Ingredient (Ethyl maltol) -> IFRA transparency List

LogP0.630

Food AdditivesCOLOR OR COLORING ADJUNCT, FLAVORING AGENT OR ADJUVANT, PROCESSING AID -> FDA Substance added to food

Flavoring AgentsEU Flavoring substances

Solubility · 2 件

Sparingly soluble in water, soluble in propylene glycol

Soluble (in ethanol)

Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List

物理化学的性質

融点: 85 · 85-95 °C (lit.)
沸点: 196.62 °C · 196.62°C (rough estimate)
比重(密度): 1.1624 · 1.1624 (rough estimate)
蒸気圧: 0.2 Pa · 0.2Pa at 24℃
屈折率: 1.485 · 1.4850 (estimate)
FEMA: 3487 · 3487 | ETHYL MALTOL
貯蔵温度: 2 · 2-8°C
溶解性: クロロホルム（微量）、メタノール（微量）
酸解離定数(Pka): 8.38 · 8.38±0.10(Predicted)
外見: Solid
色: 白色～淡黄色
臭い (Odor): 5 %。甘いキャラメルジャムイチゴわたあめ · ベンジルアルコール中5.00%。甘いキャラメルジャムイチゴわたあめ
においのタイプ: キャラメル状
由来生物: synthetic
水溶解度: 9.345 g/L · 9.345g/L at 24℃
Merck: 14 · 14,3824
JECFA Number: 1481 · 1481
主な用途: 洗浄剤化粧品フレーバーそして香料食品および飲料パーソナルケア
化粧品成分の機能: 香料香料
InChI: 1S/C7H8O3/c1-2-6-7(9)5(8)3-4-10-6/h3-4,9H,2H2,1H3
InChIKey: YIKYNHJUKRTCJL-UHFFFAOYSA-N
SMILES: CCC1=C(O)C(=O)C=CO1
LogP: 2.9 at · 2.9 at 25℃
CAS データベース: 4940 · 4940-11-8(CAS DataBase Reference)
NISTの化学物質情報: 4 H-pyran-4-one, · 4H-pyran-4-one, 2-ethyl-3-hydroxy-(4940-11-8)
EPAの化学物質情報: 4 H-Pyran-4-one, · 4H-Pyran-4-one, 2-ethyl-3-hydroxy- (4940-11-8)

化学的性質

化学的特性Ethyl maltol has a very sweet, fruit-like odor of immense tenacity and sweet, fruity taste with initial bitter-tart flavor; rapid loss of flavor per se. It is four to six times more potent than maltol.

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 0.3% (7 of 2365) of reports.

Warning

H302 (99.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2365 reports by companies from 7 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 4 件

Chemical: 4H-Pyran-4-one, 2-ethyl-3-hydroxy-

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

Status: Active Update: 15-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/22549

4H-Pyran-4-one, 2-ethyl-3-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (99.7%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: UQ0840000
毒性: LD50 orally in male mice, male rats, female rats, chicks (mg/kg): 780, 1150, 1200, 1270 (Gralla)
hs_code: 29329990
risk_code: 22
化審法: (5)-678
hazard_code: Xn
safety_code: 36
Hazard Classifications: Acute Tox. 4 Oral
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

Household ProductsInformation on 92 consumer products that contain Ethyl Hydroxypyrone in the following categories is provided:

Use Classification · 3 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENTFood Additives -> FLAVOUR_ENHANCER; STABILIZER -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information4H-Pyran-4-one, 2-ethyl-3-hydroxy-: ACTIVE

応用分野 · 3 件

天然物の起源Has apparently not been reported to occur in nature.

使用Ethyl Maltol is a flavoring agent that is a white, crystalline powder. it has a unique odor and a sweet taste that resembles fruit. the melt- ing point is 90°c. it is sparingly soluble in water and propylene gly- col and soluble in alcohol and chloroform. it is obtained by chemical synthesis.

一般的な説明Ethyl maltol is a synthetic homologue of maltol, often found as flavor enhancers and it contributes to the fragrance of commercials products such as cereals, breads, malt beverages, coffee, soybeans and chocolate milk.

調製方法 · 2 件

Unlike maltol, ethyl maltol does not occur naturally. It may be prepared by treating a-ethylfurfuryl alcohol with a halogen to produce 4-halo-6-hydroxy-2-ethyl-2H-pyran-3(6H)-one, which is converted to ethyl maltol by hydrolysis.

製造方法Several syntheses have been developed for its preparation. In a one-pot process, for example, -ethylfurfuryl alcohol is treated with halogen to give 4-halo- 6-hydroxy-2-ethyl-2H-pyran-3(6H)-one, which need not be isolated and can be converted to ethylmaltol by aqueous hydrolysis.

上流・下流製品情報

上流原料

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]

北京华美互利生物化工010-56205725 · [email protected]

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

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

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

補足説明

定義本品は、次の化学式で表される有機化合物である。

2-エチル-3-ヒドロキシ-4-ピロン

基本情報

概要