D-(+)-MALIC ACID DIMETHYL ESTER
- Iupac Name：dimethyl (2R)-2-hydroxybutanedioate
- CAS No.: 70681-41-3
- Molecular Weight：162.141
- Modify Date.: 2022-11-05 22:36
- Introduction:
D-(+)-MALIC ACID DIMETHYL ESTER, with the chemical formula C6H10O5 and CAS registry number 70681-41-3, is a compound known for its applications in various chemical processes. This colorless liquid, also referred to as dimethyl (2S)-2-hydroxybutanedioate, is characterized by its ester functional group. It is commonly used as a flavoring agent in the food and beverage industry, providing a fruity and tart taste. D-(+)-MALIC ACID DIMETHYL ESTER is also utilized in the production of pharmaceuticals and cosmetics, serving as a precursor for the synthesis of various compounds. With its versatile properties, this compound plays a significant role in enhancing the sensory experience and functionality of numerous products.
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1. Names and Identifiers
- 1.1 Name
- D-(+)-MALIC ACID DIMETHYL ESTER
- 1.2 Synonyms
(2R)-2-Hydroxybutanedioic acid dimethyl ester (R)-2-Hydroxybutanedioic acid dimethyl ester (R)-2-Hydroxysuccinic acid dimethyl ester 1,4-Dimethyl (2R)-2-hydroxybutanedioate Butanedioic acid, hydroxy-, dimethyl ester, (2R)- D-(+)-Apple Acid Dimethyl Ester D-(+)-MALIC ACID DIM D-(+)-Malic Acid Dimethyl Ester Dimethyl (R)-2-hydroxysuccinate, Dimethyl D-malate Dimethyl (R)-2-hydroxybutanedioate
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- 1.3 CAS No.
- 70681-41-3
- 1.4 CID
- 11062697
- 1.5 Molecular Formula
- C6H10O5 (isomer)
- 1.6 Inchi
- InChI=1S/C6H10O5/c1-10-5(8)3-4(7)6(9)11-2/h4,7H,3H2,1-2H3/t4-/m1/s1
- 1.7 InChIkey
- YSEKNCXYRGKTBJ-SCSAIBSYSA-N
- 1.8 Canonical Smiles
- COC(=O)CC(C(=O)OC)O
- 1.9 Isomers Smiles
- COC(=O)C[C@H](C(=O)OC)O
2. Properties
- 2.1 Density
- 1.224
- 2.1 Boiling point
- 249.6 °C at 760 mmHg
- 2.1 Refractive index
- n20/D 1.440
- 2.1 Flash Point
- 100 °C
- 2.1 Precise Quality
- 162.05300
- 2.1 PSA
- 72.83000
- 2.1 logP
- -0.91660
- 2.1 Appearance
- Colorless to light yellow liquid
- 2.2 Storage
- 2-8°C
- 2.3 Chemical Properties
- Colorless to light yellow liqui D-(+)-MALIC ACID DIMETHYL ESTERSupplier
- 2.4 pKa
- 11.72±0.20(Predicted)
- 2.5 StorageTemp
- 2-8°C
3. Safety and Handling
- 3.1 Safety Statements
- S23;S24/25
- 3.1 WGK Germany
- 3
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
6. Synthesis Route
70681-41-3Total: 25 Synthesis Route
8. Computational chemical data
- Molecular Weight: 162.141g/mol
- Molecular Formula: C6H10O5
- Compound Is Canonicalized: True
- XLogP3-AA: -0.7
- Exact Mass: 162.05282342
- Monoisotopic Mass: 162.05282342
- Complexity: 153
- Rotatable Bond Count: 5
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Topological Polar Surface Area: 72.8
- Heavy Atom Count: 11
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccBgOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAABgAIAACQCAIAAAAAAAAAAAFAAAABEBQAAAAAQAAFIAADAABDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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10. Realated Product Infomation
skype
2YRS
