Enciclopedia Química / Pharmaceutical Intermediates / Organic Intermediate / Vitamins, Amino Acids and Coenzymes

ÉSTER DIETÍLICO DEL ÁCIDO D-(+)-MÁLICO

CAS：7554-28-1
MW:190.195
MF：C8H14O5

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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Nombres y Identificadores
Propiedades
Seguridad
MSDS
Datos químicos computacionales
información real del producto

1. Nombres y Identificadores

1.1 Nombre del producto: ÉSTER DIETÍLICO DEL ÁCIDO D-(+)-MÁLICO

1.2 Sinónimos: ÉSTER DIETÍLICO DEL ÁCIDO D-(+)-MÁLICO;D-(+)-MALATO DE DIETILO;ÉSTER DIETÍLICO DEL ÁCIDO D-(+)-MANZANA;éster dietílico del ácido (2R)-2-hidroxibutanodioico;ácido (2R)-2-hidroxisuccínico éster dietílico; éster dietílico del ácido [R,(+)]-2-hidroxisuccínico; éster dietílico del ácido (2R)-2-hidroxibutanodioico; éster dietílico del ácido (R)-hidroxibutanodioico

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1.3 CAS No.: 7554-28-1

1.4 CID: 1715086

1.5 Número EINECS: 231-445-0

1.6 Fórmula molecular: C8H14O5

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 Canónico SMILES: CCOC(=O)CC(C(=O)OCC)O

1.10 Isómero SMILES: CCOC(=O)C[C@H](C(=O)OCC)O

2. Propiedades

2.1 pKa: 12.35±0.20(Predicted)

3. Seguridad

3.1 RTECS: UQ7350000

3.2 Seguridad y riesgos

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

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5. Árbol de objetos

7554-28-1Total: 13 Árbol de objetos

87-91-2 204 Productores

7554-28-1 25 Productores

35572-31-7

7554-28-1 25 Productores

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6. Precursores y productos

Precursores:

64-17-5

35572-31-7

80640-14-8

636-61-3

160816-86-4

40876-98-0

79413-91-5

87-91-2

13552-87-9

99967-63-2

38270-72-3

Productos:

70005-88-8

7. Datos químicos computacionales

Molecular Weight：190.195g/mol
Molecular Formula：C₈H₁₄O₅
Compound Is Canonicalized：True
Exact Mass：0.1
XLogP3-AA：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==