D-(+)-MALIC ACID DIETHYL ESTER
- Iupac Name：diethyl (2R)-2-hydroxybutanedioate
- CAS No.: 7554-28-1
- Molecular Weight：190.195
- Modify Date.: 2022-11-29 03:59
- Introduction:
D-(+)-MALIC ACID DIETHYL ESTER, with the chemical formula C10H16O5 and CAS registry number 7554-28-1, is a compound known for its applications in various industries. This colorless liquid, also referred to as diethyl (2S,3S)-2-hydroxybutanedioate, is characterized by its ester functional group. It is commonly used as a flavoring agent in food and beverages, providing a fruity and tart taste. D-(+)-MALIC ACID DIETHYL ESTER is also used in the production of pharmaceuticals and cosmetics, where it serves as a fragrance and masking agent. Additionally, it has been studied for its potential antioxidant and anti-inflammatory properties. Overall, D-(+)-MALIC ACID DIETHYL ESTER is a versatile compound with diverse applications in various industries.
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1. Names and Identifiers
- 1.1 Name
- D-(+)-MALIC ACID DIETHYL ESTER
- 1.2 Synonyms
(2R)-2-Hydroxy-butanedioic Acid 1,4-Diethyl Ester (2R)-2-Hydroxybutanedioic acid diethyl ester (R)-Hydroxy-butanedioic Acid Diethyl Ester 1,4-Diethyl (2R)-2-hydroxybutanedioate Butanedioic acid, 2-hydroxy-, 1,4-diethyl ester, (2R)- Butanedioic acid, hydroxy-, diethyl ester, (2R)- Butanedioic acid, hydroxy-, diethyl ester, (R)- D-(+)-APPLE ACID DIETHYL ESTER D-(+)-Malic Acid Diethyl Ester Diethyl (2R)-Malate Diethyl (R)-2-Hydroxysuccinate Diethyl (R)-Malate DIETHYL D-(+)-MALATE Diethyl D-malate Malic acid, diethyl ester, D-(+)-
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- 1.3 CAS No.
- 7554-28-1
- 1.4 CID
- 1715086
- 1.5 EINECS(EC#)
- 231-445-0
- 1.6 Molecular Formula
- C8H14O5 (isomer)
- 1.7 Inchi
- InChI=1S/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3/t6-/m1/s1
- 1.8 InChIkey
- VKNUORWMCINMRB-ZCFIWIBFSA-N
- 1.9 Canonical Smiles
- CCOC(=O)CC(C(=O)OCC)O
- 1.10 Isomers Smiles
- CCOC(=O)C[C@H](C(=O)OCC)O
2. Properties
- 2.1 Density
- 1.149
- 2.1 Boiling point
- 281.6°C at 760 mmHg
- 2.1 Refractive index
- 1.446
- 2.1 Flash Point
- 85°C
- 2.1 Precise Quality
- 190.08400
- 2.1 PSA
- 72.83000
- 2.1 logP
- -0.13640
- 2.1 Appearance
- Colorless to Almost colorless clear liquid
- 2.2 Chemical Properties
- Clear Colourless Oil D-(+)-MALIC ACID DIETHYL ESTERSupplier
- 2.3 pKa
- 12.35±0.20(Predicted)
- 2.4 StorageTemp
- Sealed in dry,Room Temperature
3. Safety and Handling
- 3.1 Hazard Codes
- Xn
- 3.1 Safety Statements
- S26;S36
- 3.1 RTECS
- UQ7350000
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
5. Synthesis Route
7554-28-1Total: 13 Synthesis Route
7. Computational chemical data
- Molecular Weight: 190.195g/mol
- Molecular Formula: C8H14O5
- Compound Is Canonicalized: True
- XLogP3-AA: 0.1
- Exact Mass: 190.08412354
- Monoisotopic Mass: 190.08412354
- Complexity: 177
- Rotatable Bond Count: 7
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Topological Polar Surface Area: 72.8
- Heavy Atom Count: 13
- 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: AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAABgAIAACQCAIAAAAAAAAAAAFAAAABEBQAAAACQAAFIAADAABDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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9. Realated Product Infomation
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