CAS No.1115-82-8,(S)-(+)-2-METHYLGLUTARIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1115-82-8
Name:	(S)-(+)-2-METHYLGLUTARIC ACID
Article Data:	2

Formula:	C₆H₁₀O₄
Molecular Weight:	146.143
Synonyms:	Glutaric acid, 2-methyl-, (S)(+)- (8CI);Pentanedioic acid, 2-methyl-, (S)-;(S)-(+)-2-Methylglutaricacid;(S)-2-Methylpentanedioic acid;
Density:	1.246 g/cm³
Melting Point:	82 °C
Boiling Point:	332.7 °C at 760 mmHg
Flash Point:	148.8 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	74.60000
LogP:	0.57190

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Specification

The Pentanedioic acid, 2-methyl-, (2S)-, with the CAS registry number 1115-82-8, is also known as (S)-2-Methylpentanedioic acid. It belongs to the product categories of Carboxylic Acids (Chiral); Chiral Building Blocks; Synthetic Organic Chemistry. This chemical's molecular formula is C₆H₁₀O₄ and molecular weight is 146.14. What's more, its systematic name is (2S)-2-methylpentanedioic acid.

Physical properties of Pentanedioic acid, 2-methyl-, (2S)- are: (1)ACD/LogP: -0.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.35; (4)ACD/LogD (pH 7.4): -5.31; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 52.6 Å²; (11)Index of Refraction: 1.473; (12)Molar Refractivity: 32.93 cm³; (13)Molar Volume: 117.2 cm³; (14)Surface Tension: 50.1 dyne/cm; (15)Density: 1.246 g/cm³; (16)Flash Point: 148.8 °C; (17)Enthalpy of Vaporization: 63.26 kJ/mol; (18)Boiling Point: 332.7 °C at 760 mmHg; (19)Vapour Pressure: 2.76E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It 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. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC[C@@H](C(=O)O)C
(2)InChI: InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1
(3)InChIKey: AQYCMVICBNBXNA-BYPYZUCNSA-N