Dimethyl malate supplier | CasNO.617-55-0

Name
Dimethyl malate
EINECS 216-448-7
CAS No. 617-55-0
Article Data5
CAS DataBase
Density 1.224 g/cm³
Solubility
Melting Point
Formula C₆H₁₀O₅
Boiling Point 249.629 °C at 760 mmHg
Molecular Weight 162.142
Flash Point 100.054 °C
Transport Information
Appearance Colorless transparent liquid
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Butanedioicacid, hydroxy-, dimethyl ester, (2S)- (9CI);Butanedioic acid, hydroxy-,dimethyl ester, (S)-;Malic acid, dimethyl ester, L- (8CI);(-)-Dimethylmalate;(2S)-Hydroxysuccinic acid dimethyl ester;(S)-(-)-Dimethyl malate;(S)-Malic acid dimethyl ester;Dimethyl (2S)-2-hydroxysuccinate;Dimethyl(S)-(-)-2-hydroxysuccinate;L-Malic acid dimethyl ester;
PSA 72.83000
LogP -0.91660

Dimethyl malate Specification

The Dimethyl malate, with CAS registry number 617-55-0, belongs to the following product categories: (1)Chiral; (2)Chiral Reagents; (3)Chiral Building Blocks; (4)Esters (Chiral); (5)Synthetic Organic Chemistry. It has the systematic name of dimethyl (2S)-2-hydroxybutanedioate. This chemical should be stored at the temperature of 2-8°C.

Physical properties of Dimethyl malate: (1)ACD/LogP: -0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8; (8)ACD/KOC (pH 7.4): 8; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 72.83 Å²; (13)Index of Refraction: 1.44; (14)Molar Refractivity: 34.889 cm³; (15)Molar Volume: 132.423 cm³; (16)Polarizability: 13.831×10^-24cm³; (17)Surface Tension: 40.684 dyne/cm; (18)Enthalpy of Vaporization: 56.566 kJ/mol; (19)Vapour Pressure: 0.004 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Dimethyl malate irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C[C@H](O)C(=O)OC
(2)InChI: InChI=1/C6H10O5/c1-10-5(8)3-4(7)6(9)11-2/h4,7H,3H2,1-2H3/t4-/m0/s1
(3)InChIKey: YSEKNCXYRGKTBJ-BYPYZUCNBC
(4)Std. InChI: InChI=1S/C6H10O5/c1-10-5(8)3-4(7)6(9)11-2/h4,7H,3H2,1-2H3/t4-/m0/s1
(5)Std. InChIKey: YSEKNCXYRGKTBJ-BYPYZUCNSA-N

Product Name

Dimethyl malate

Dimethyl malate Specification

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