Pentanedioic acid, 2-methyl-, (2S)- supplier

Name
(S)-(+)-2-METHYLGLUTARIC ACID
EINECS
CAS No. 1115-82-8
Article Data2
CAS DataBase
Density 1.246 g/cm³
Solubility
Melting Point 82 °C
Formula C₆H₁₀O₄
Boiling Point 332.7 °C at 760 mmHg
Molecular Weight 146.143
Flash Point 148.8 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms Glutaric acid, 2-methyl-, (S)(+)- (8CI);Pentanedioic acid, 2-methyl-, (S)-;(S)-(+)-2-Methylglutaricacid;(S)-2-Methylpentanedioic acid;
PSA 74.60000
LogP 0.57190

Pentanedioic acid, 2-methyl-, (2S)- 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

Product Name

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

Pentanedioic acid, 2-methyl-, (2S)- Specification

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