Diethyl malate (HCID 24197)

概要

Diethyl malate is a malate ester obtained by the formal condensation of the two carboxy groups of malic acid with two molecules of ethanol respectively. It has a role as a metabolite.

名称と識別子

優先名称: Diethyl malate
IUPAC: diethyl 2-hydroxybutanedioate
現地名: rac-(R*)-2-ヒドロキシこはく酸ジエチル
英語名: DL-Malic acid diethyl ester
分子式: C8H14O5
分子量: 190.19

名称と別名

DIETHYL MALATE7554-12-3diethyl 2-hydroxybutanedioateEthyl malatediethyl hydroxysuccinateButanedioic acid, hydroxy-, diethyl ester59W97T99HIFEMA No. 2374Butanedioic acid, 2-hydroxy-, 1,4-diethyl esterDTXSID7048081DL-ETHYL MALATECHEBI:87368

名称をさらに表示

rac-(R*)-2-ヒドロキシブタン二酸ジエチルdl-りんご酸ジエチル(±)-りんご酸ジエチルrac-(R*)-2-ヒドロキシこはく酸ジエチルFEMA 2374ETHYL-DL-MALATEEinecs 210-930-0Diethyl (1)-malateDIETHYL MALATE 97+%DL-Malic acid diethyl esterDiethyl DL-Malate, 99% (GC)DL-APPLE ACID DIETHYL ESTERDL-MALIC ACID DIETHYL ESTER USP/EP/BP

RefChem:920157DTXCID8028052210-930-0231-444-5Diethyl 2-hydroxysuccinateDiethyl dl-malateDIETHYLMALATE626-11-9

データベース識別子

CAS: 626-11-9、7554-12-3、7554-28-1
PubChem CID: 24197
DTXSID: DTXSID7048081
ChEMBL: CHEMBL3305989
ChEBI: CHEBI:87368
UNII: 59W97T99HI
EC Number: 210-930-0、231-444-5
Nikkaji: J44.123F

物性

構造計算による物性

XLogP: 0.1
極性表面積: 72.8 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 7
重原子数: 13
形式電荷: 0
複雑度: 177

実験および物理化学的性質

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

Density1.120-1.128

Flavoring AgentsEU Flavoring substances

Solubility · 2 件

soluble in water; miscible in alcohol and oil

(in ethanol)

Boiling Point254 °C; 91-92 °C (1 mm Hg)

Refractive Index1.436-1.446

物理化学的性質

沸点: 122 · 122-124 °C12 mm Hg(lit.)
比重(密度): 1.128 g/mL · 1.128 g/mL at 25 °C(lit.)
FEMA: 2374 · 2374 | DIETHYL MALATE
闪点: 185 °F · 185 °F
貯蔵温度: Refrigerator
溶解性: クロロホルム（少量）、酢酸エチル（少量）
外見: 油
色: 無色
臭い (Odor): ワインフルーティーなリンゴの皮
においのタイプ: フルーティーな
Dielectric constant: 9.5 · 9.5(20℃)
LogP: 0.23 · 0.23

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 100% (90 of 90) of all reports.

Not Classified

Aggregated GHS information provided per 90 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 2 件

Chemical: Butanedioic acid, hydroxy-, diethyl ester

Butanedioic acid, hydroxy-, diethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

安全データ

wgk: 3
safety_code: 23-24/25

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

Use Classification · 5 件

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationButanedioic acid, 2-hydroxy-, 1,4-diethyl ester: ACTIVE

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]

Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

rac-(R*)-2-ヒドロキシこはく酸ジエチル

基本情報

概要