Chemische Enzyklopädie / Acidity Regulators / Organic Intermediate / Pharmaceutical Intermediates

DL-Apfels?ure

CAS：6915-15-7
MW:134.08744
MF：C4H6O5

Malic acid, HOOCCH(OH).CH2COOH, also known as hydroxysuccinic acid, is a colorless solid. It is soluble in water and alcohol. Malic acid exists in two optically active forms and a racemic mixture. It is used in medicine and found in apples and other fruits.The naturally occuring isomer is the L-form which has been found in apples and many other fruits and plants. Selective α-amino protecting reagent for amino acid derivatives. Versatile synthon for the preparation of chiral compounds including κ-opioid rece Mehr anzeigen+

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Namen und Bezeichner
Eigenschaften
SDB-Informationen
NMR Spektrum
Computerchemische Daten
Verwandte Fragen
Realisierte Produktinformationen

1. Namen und Bezeichner

1.1 Produktname: DL-Apfels?ure

1.2 Synonyme: (±)-2-Hydroxysuccins?ure, DL-Hydroxybutandis?ure, DL-Malic acid, DL-Apfels?ure

1.3 CAS No.: 6915-15-7

1.4 CID: 525

1.5 EINECS: 210-514-9

1.6 Summenformel: HO2CCH2CH(OH)CO2H

1.7 Inchi: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)

1.8 InchiKey: BJEPYKJPYRNKOW-UHFFFAOYSA-N

1.9 Kanonisch SMILES: C(C(C(=O)O)O)C(=O)O

1.10 Isomere SMILES: C(C(C(=O)O)O)C(=O)O

2. Eigenschaften

2.1 Dampf: 4.6 (vs air)

2.2 Löslich: methanol: 0.1?g/mL, clear, colorless

2.3 Dampf: 4.6 (vs air)

2.4 PH: pH of a 0.001% aqueous solution is 3.80, that of 0.1% solution is 2.80, and that of a 1.0% solution is 2.34

2.5 pKa: 3.4(at 25℃)

3. SDB-Informationen

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H319 Causes serious eye irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention.
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

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4. NMR Spektrum

13C NMR : in D2O

1H NMR : 90 MHz in CDCl3

IR : KBr disc

IR : nujol mull

Mass

5. Computerchemische Daten

Molecular Weight：134.08744g/mol
Molecular Formula：C₄H₆O₅
Compound Is Canonicalized：True
XLogP3-AA：134.02152329
Monoisotopic Mass：134.02152329
Complexity：129
Rotatable Bond Count：3
Hydrogen Bond Donor Count：3
Hydrogen Bond Acceptor Count：5
Topological Polar Surface Area：94.8
Heavy Atom Count：：9
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：1
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADcYBgOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAIACAAAAgAIAACQCAIAAAAAAAAAAAFAAAABEBQAAAAAQAAFIAABAABDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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7. Verwandte Fragen

: What are the Various Applications and Quantification Methods of Malic Acid?General Description Malic acid, a key organic acid found in fruits and vegetables, plays essential roles in different industries. Its versatility is highlighted by its use as a food additive and in co..; What are the uses and safety considerations of malic acid in various industries?Description Malic acid (MA) is an organic compound also known as "apple acid" and "fruit acid," commonly found in many prepared foods. It occurs naturally in apples, particularly in the skin, and othe..; What is Malic Acid and How is it Prepared? Malic acid is a colorless, odorless, crystalline substance that is highly soluble in water, methanol, ethanol, acetone, ether, and other polar solvents. It is a dibasic acid with two dissociation con..; What are the benefits of malic acid for energy levels and skin health?As an organic compound, you can find Malic acid in things you regularly eat, such as apples. It is also found in wine and several other food sources. Is Malic acid natural? Yes, it occurs naturally in..

8. Realisierte Produktinformationen