CAS 626-11-9 Diethyl malate (HCID 24197)

Overview

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.

Names & identifiers

Preferred name: Diethyl malate
IUPAC: diethyl 2-hydroxybutanedioate
English name: DL-Malic acid diethyl ester
Molecular formula: C8H14O5
Molecular weight: 190.19

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 72.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 13
Formal charge: 0
Complexity: 177

Experimental & physicochemical properties

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

Density1.120-1.128

Flavoring AgentsEU Flavoring substances

Solubility · 2 items

soluble in water; miscible in alcohol and oil

(in ethanol)

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

Refractive Index1.436-1.446

Physicochemical properties

Boiling point: 122 · 122-124 °C12 mm Hg(lit.)
Density: 1.128 g/mL · 1.128 g/mL at 25 °C(lit.)
FEMA: 2374 · 2374 | DIETHYL MALATE
Flash point: 185 °F · 185 °F
storage temp.: Refrigerator
solubility: Chloroform (Sparingly), Ethyl Acetate (Slightly)
form: Oil
color: Colourless
Odor: wine fruity apple skin
Odor Type: fruity
Dielectric constant: 9.5 · 9.5(20℃)
LogP: 0.23 · 0.23
Safety Statements: 23 · 23-24/25
WGK Germany: 3 · 3

Safety & regulation

GHS classification

GHS Classification · 3 items

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.

Hazard information

Regulatory Information · 2 items

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

Safety data

wgk: 3
safety_code: 23-24/25

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm

Uses & manufacturing

Use Classification · 5 items

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

Applications

UsesDiethyl DL-Malate is used as a reagent in the synthesis of dicarboxylic nitroxyalkylamides and nitroxyalkylimides as anti-ischemic agents.

Suppliers66 total

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]

Additional notes

DefinitionChEBI: 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.