DL-Malic acid
- Iupac Name：2-hydroxybutanedioic acid
- CAS No.: 617-48-1
- Molecular Weight：134.08744
- Modify Date.: 2022-10-27 02:14
- Introduction:
DL-Malic acid, with the chemical formula C4H6O5 and CAS registry number 617-48-1, is a compound known for its role in the food and pharmaceutical industries. This organic acid is commonly found in fruits and is responsible for the sour taste in apples. DL-Malic acid is used as a flavor enhancer, acidity regulator, and antioxidant in various food and beverage products. It is also utilized in the production of pharmaceuticals, cosmetics, and personal care products. DL-Malic acid has been studied for its potential health benefits, including its role in improving exercise performance and reducing fatigue. Overall, DL-Malic acid is a versatile compound with a wide range of applications in different industries.
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1. Names and Identifiers
- 1.1 Name
- DL-Malic acid
- 1.2 Synonyms
(±)-1-Hydroxy-1,2-ethanedicarboxylic Acid (+/-)-2-HYDROXYSUCCINIC ACID (+/-)-butanedioicaci (+/-)-HYDROXYBUTANEDIOIC ACID (+/-)-HYDROXYSUCCINIC ACID 2-Hydroxy-succinic acid a-Hydroxysuccinic Acid Butanedioic acid, 2-hydroxy- C00711 DL-Hydroxybutanedioic acid EINECS 210-514-9 Hydroxybutandisaeure Malic acid MALIC ACID, (DL) MALIC ACID, DL- MFCD00064212 Musashi-no-Ringosan R,S(±)-Malic acid R,S-Malic acid UNII:817L1N4CKP
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- 1.3 CAS No.
- 617-48-1
- 1.4 CID
- 525
- 1.5 EINECS(EC#)
- 210-514-9
- 1.6 Molecular Formula
- 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 Canonical Smiles
- C(C(C(=O)O)O)C(=O)O
- 1.10 Isomers Smiles
- C(C(C(=O)O)O)C(=O)O
2. Properties
- 2.1 Density
- 1.641
- 2.1 Melting point
- 130-132℃
- 2.1 Boiling point
- 306.4°C at 760 mmHg
- 2.1 Refractive index
- 1.529
- 2.1 Flash Point
- 203℃
- 2.2 PSA
- 94.83000
- 2.2 logP
- -1.26 (Predicted)
- 2.2 Solubility
- methanol: 0.1?g/mL, clear, colorless
- 2.3 Viscosity
- 6.5 mPa.s (= cP) 50% aqueous solution at 25 °C
- 2.4 VaporDensity
- 4.6 (vs air)
- 2.5 Appearance
- White to nearly white crystals or crystal powder
- 2.6 Chemical Properties
- white crystalline powder
- 2.7 Color/Form
- COLORLESS
WHITE TRICLINIC CRYSTALS
- 2.8 Decomposition
- When heated to decomposition it emits acrid smoke and irritating fumes.
- 2.9 Heat of Combustion
- -1.340 MJ/mol at 20 °C
- 2.10 Odor
- Characteristic
- 2.11 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
- 2.12 pKa
- pK1:3.458;pK2:5.097 (25°C)
- 2.13 Water Solubility
- methanol: 0.1?g/mL, clear, colorless
- 2.14 Stability
- Stable. Incompatible with strong oxidizing agents, strong bases, amines, alkali metals, carbonates.
3. Use and Manufacturing
- 3.1 Purification Methods
- Crystallise the acid from acetone, then from acetone/CCl4, or from ethyl acetate by adding pet ether (b 60-70o). Dry it at 35o under 1mm pressure to avoid formation of the anhydride. [Beilstein 3 IV 1124.] DL-Malic acid Preparation Products And Raw materials Raw materials
- 3.2 Usage
- DL-malic acid is primarily used in the food and beverage industry.
4. Safety and Handling
- 4.1 Hazard Codes
- Xi;
- 4.1 Risk Statements
- R22;R34;R42/43
- 4.1 Safety Statements
- S26;S37/39
- 4.1 Exposure Standards and Regulations
- Substance added directly to human food affirmed as generally recognized as safe (GRAS).
Malic acid used as a general purpose food additive in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice.
- 4.2 Octanol/Water Partition Coefficient
- log Octanol/water partition coefficient: -1.26
- 4.3 Other Preventative Measures
- SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
- 4.4 DisposalMethods
- SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
- 4.5 Formulations/Preparations
- UVA URSI, THIS IS VOLATILE OIL CONTAINING A GLUCOSIDE, ARBUTIN, TANNIN, & GALLIC & MALIC ACIDS.
Grades: technical, active and inactive; FCC. The natural material is levorotatory, but the synthetic material is /optically/ inactive
Food grade: powder, fine granular, and granular
Granules and powder grades
- 4.6 WGK Germany
- 1
- 4.6 RTECS
- ON7175000
- 4.6 Protective Equipment and Clothing
- A skin and eye irritant
- 4.7 Skin, Eye, and Respiratory Irritations
- A skin and eye irritant
5. 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
6. Synthesis Route
617-48-1Total: 81 Synthesis Route
8. Computational chemical data
- Molecular Weight: 134.08744g/mol
- Molecular Formula: 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==
9. Question & Answer
-
DL-Malic acid is a stable compound under normal conditions but tends to absorb moisture in high humidity. It is a triclinic white crystal with a melting point of 130℃ and a relative density of 1.601...
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Background and overview[1] DL-Malic acid is a commonly used food additive and flavoring agent. It is widely used in jelly and fruit-based foods to help food absorption and improve appetite. As a sour ..
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