3D Mol Similar

DL-Malic acid

: Nom de l'IUPAC：2-hydroxybutanedioic acid; Numéro CAS: 6915-15-7; Masse moléculaire：134.08744

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1. nom et identifiant

: 1.1 Nom du produit; DL-Malic acid; 1.2 Synonymes; (±)-1-Hydroxy-1,2-ethanedicarboxylic Acid 2-Hydroxy-succinic acid a-Hydroxysuccinic Acid alpha-Hydroxysuccinic acid alpha-hydroxysuccinicacid Butanedioic acid, 2-hydroxy- Butanedioic acid, hydroxy- commonmalicacid Deoxytetraric acid deoxytetraricacid DL(+/-)-MALIC ACID DL-Hydroxybutanedioic acid DL-MALIC ACID EINECS 210-514-9 femanumber2655 Hydroxybutandisaeure hydroxy-butanedioic acid hydroxy-butanedioicaci MALIC ACID, (DL) Malic acid, dl- MFCD00064212 R,S(±)-Malic acid R,S-Malic acid UNII:817L1N4CKP; Voir tous

1.3 Numéro CAS: 6915-15-7

1.4 CID: 525

1.5 Numéro EINECS: 210-514-9

1.6 Formule moléculaire: C4H6O5 (isomer)

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 Canonique SMILES: C(C(C(=O)O)O)C(=O)O

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

2. Propriétés

2.1 Densité: 1.641

2.2 Point de fusion: 130-132℃

2.3 Point d'ébullition: 306.4°C at 760 mmHg

2.4 Indice de réfraction: 1.3920 (estimate)

2.5 Point d'éclair: 203℃

2.6 PSA: 94.83000

2.7 logP: -1.09340

2.8 Solubilité: methanol: 0.1?g/mL, clear, colorless

2.9 Vapeur: 4.6 (vs air)

2.10 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

2.11 pKa: 3.4(at 25℃)

3. Sécurité et Manipulation

3.1 Marquage des marchandises dangereuses: Xi;

3.2 Code de risque: R22;R34;R42/43

3.3 Description du danger: H319

3.4 Wgk Allemagne: 1

3.5 RTECS: ON7175000

4. MSDS

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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5. NMR Spectre

13C NMR : in D2O

1H NMR : 90 MHz in CDCl3

IR : KBr disc

IR : nujol mull

Mass

6. données chimiques calculées

Masse moléculaire: 134.08744g/mol
Formule moléculaire: C₄H₆O₅
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 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==

7. questions et réponses

What are the Various Applications and Quantification Methods of Malic Acid? May 12 2024
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? May 11 2024
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? Oct 19 2023
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? Mar 28 2023
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..

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Global286FournisseursVoir tous >>

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