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| CAS No.: | 22644-27-5 |
|---|---|
| Name: | Dimethyl (R)-(+)-methylsuccinate |
| Molecular Structure: | |
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| Formula: | C7H12O4 |
| Molecular Weight: | 160.17 |
| Synonyms: | Butanedioicacid, methyl-, dimethyl ester, (2R)- (9CI);Butanedioic acid, methyl-, dimethylester, (R)-;Succinic acid, methyl-, dimethyl ester, (R)-(+)- (8CI);(2R)-(Methyl)butanedioic acid dimethyl ester;(R)-Methyl succinate;(R)-Methylsuccinic acid dimethyl ester;(R)-a-Methylsuccinic acid dimethyl ester;Dimethyl(2R)-2-methylsuccinate;Dimethyl (R)-2-methylsuccinate;Dimethyl(R)-methylsuccinate; |
| Density: | 1.076 g/cm3 |
| Melting Point: | 140-145 °C (decomp) |
| Boiling Point: | 195.999 °C at 760 mmHg |
| Flash Point: | 83.333 °C |
| Safety: | 23-24/25 |
| PSA: | 52.60000 |
| LogP: | 0.35860 |
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Specification
The Dimethyl (R)-(+)-methylsuccinate, with CAS registry number 22644-27-5, belongs to the following product categories: (1)Chiral Building Blocks; (2)Esters (Chiral); (3)Synthetic Organic Chemistry; (4)Chiral Building Blocks; (5)Esters; (6)Organic Building Blocks. It has the systematic name of dimethyl (2R)-2-methylbutanedioate. When use this chemical, do not breathe vapour and avoid contact with skin and eyes.
Physical properties of Dimethyl (R)-(+)-methylsuccinate: (1)ACD/LogP: 0.61; (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): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 47; (8)ACD/KOC (pH 7.4): 47; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.416; (14)Molar Refractivity: 37.987 cm3; (15)Molar Volume: 151.424 cm3; (16)Polarizability: 15.059×10-24cm3; (17)Surface Tension: 31.067 dyne/cm; (18)Enthalpy of Vaporization: 43.22 kJ/mol; (19)Vapour Pressure: 0.408 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C[C@H](C(=O)OC)C
(2)InChI: InChI=1/C7H12O4/c1-5(7(9)11-3)4-6(8)10-2/h5H,4H2,1-3H3/t5-/m1/s1
(3)InChIKey: NFOQJNGQQXICBY-RXMQYKEDBF
(4)Std. InChI: InChI=1S/C7H12O4/c1-5(7(9)11-3)4-6(8)10-2/h5H,4H2,1-3H3/t5-/m1/s1
(5)Std. InChIKey: NFOQJNGQQXICBY-RXMQYKEDSA-N