2-エチル-3-ヒドロキシ-4-ピロン
Ethyl Maltol
基本情報
- CAS
4940-11-8- 標準SMILES
CCc1occc(=O)c1O- InChIKey
YIKYNHJUKRTCJL-UHFFFAOYSA-N- 分子式
- C7H8O3
- 平均分子量
- 140.14 g/mol
- 単同位体質量
- 140.04734411
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-Ethyl HydroxypyroneFEMA No. 3487
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
2-Ethyl pyromeconic acidDTXSID5041516L6Q8K29L05NSC638851NSC-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 Ų
- 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
LogP
0.630
0.6
Food AdditivesCOLOR OR COLORING ADJUNCT, FLAVORING AGENT OR ADJUVANT, PROCESSING AID -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
Sparingly soluble in water, soluble in propylene glycol
Soluble (in ethanol)
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
Boiling Point289.00 to 290.00 °C. @ 760.00 mm Hg
Melting Point90 - 91 °C
Physical Description
Solid
White crystalline powder; Sweet fruit-like aroma
物理化学的性質
- 融点
- 85 · 85-95 °C (lit.)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
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
Chemical: 4H-Pyran-4-one, 2-ethyl-3-hydroxy-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: 2-ethyl-3-hydroxy-4-pyrone (EC: 225-582-5)
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
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
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
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.
関連反応
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