Pentanedioic acid,2-methyl-, 1,5-dimethyl ester, (2S)- supplier

Name
(S)-(+)-2-METHYLGLUTARIC ACID DIMETHYL ESTER
EINECS
CAS No. 10171-92-3
Article Data3
CAS DataBase
Density 1.037 g/cm³
Solubility
Melting Point
Formula C₈H₁₄O₄
Boiling Point 204.416 °C at 760 mmHg
Molecular Weight 174.197
Flash Point 90.802 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms Glutaricacid, 2-methyl-, dimethyl ester, (S)-(+)- (8CI);Pentanedioic acid, 2-methyl-,dimethyl ester, (2S)- (9CI);Pentanedioic acid, 2-methyl-, dimethyl ester,(S)-;(S)-Dimethyl a-methylglutarate;
PSA 52.60000
LogP 0.74870

Pentanedioic acid,2-methyl-, 1,5-dimethyl ester, (2S)- Specification

The Pentanedioic acid,2-methyl-, 1,5-dimethyl ester, (2S)-, with the CAS registry number 10171-92-3, is also known as Dimethyl (S)-(+)-2-Methylglutarate. It belongs to the product categories of Chiral Building Blocks; Esters (Chiral); Synthetic Organic Chemistry. This chemical's molecular formula is C₈H₁₄O₄ and formula weight is 174.19. What's more, its systematic name is called dimethyl (2S)-2-methylpentanedioate.

Physical properties of Pentanedioic acid,2-methyl-, 1,5-dimethyl ester, (2S)-: (1)ACD/LogP: 0.92; (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): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 80; (8)ACD/KOC (pH 7.4): 80; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.421; (13)Molar Refractivity: 42.62 cm³; (14)Molar Volume: 167.93 cm³; (15)Surface Tension: 31.323 dyne/cm; (16)Density: 1.037 g/cm³; (17)Flash Point: 90.802 °C; (18)Enthalpy of Vaporization: 44.064 kJ/mol; (19)Boiling Point: 204.416 °C at 760 mmHg; (20)Vapour Pressure: 0.264 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CC[C@@H](C(=O)OC)C
(2)InChI: InChI=1/C8H14O4/c1-6(8(10)12-3)4-5-7(9)11-2/h6H,4-5H2,1-3H3/t6-/m0/s1
(3)InChIKey: ZWKKRUNHAVNSFW-LURJTMIEBN

Product Name

(S)-(+)-2-METHYLGLUTARIC ACID DIMETHYL ESTER

Pentanedioic acid,2-methyl-, 1,5-dimethyl ester, (2S)- Specification

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