CAS No.10171-92-3,(S)-(+)-2-METHYLGLUTARIC ACID DIMETHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	10171-92-3
Name:	(S)-(+)-2-METHYLGLUTARIC ACID DIMETHYL ESTER
Article Data:	3

Formula:	C₈H₁₄O₄
Molecular Weight:	174.197
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;
Density:	1.037 g/cm³
Boiling Point:	204.416 °C at 760 mmHg
Flash Point:	90.802 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	52.60000
LogP:	0.74870

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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