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Cas Database |
| Name |
Pentanedioic acid,2-methyl- |
EINECS | 210-521-7 |
| CAS No. | 18069-17-5 | Density | 1.246 g/cm3 |
| PSA | 74.60000 | LogP | 0.57190 |
| Solubility | N/A | Melting Point |
80-82 °C(lit.) |
| Formula | C6H10O4 | Boiling Point | 332.7 °C at 760 mmHg |
| Molecular Weight | 146.143 | Flash Point | 148.8 °C |
| Transport Information | N/A | Appearance | white to almost white fine crystalline powder |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
2-Methylglutaric acid;2-Methylpentanedioic acid; |
Article Data | 101 |
Pentanedioic acid,2-methyl- Synthetic route
| Conditions | Yield |
|---|---|
| With hexafluoroantimonic acid at 30℃; for 1h; | 100% |
- 4553-62-2
2-methylglutaronitrile
- 18069-17-5
2-methylglutaric acid
| Conditions | Yield |
|---|---|
| With sulfuric acid; nitric acid at 90℃; for 16h; Reagent/catalyst; Temperature; Inert atmosphere; | 96% |
| With hydrogenchloride | |
| acid hydrolysis; | |
| With sulfuric acid; water at 105 - 125℃; for 8.42h; Inert atmosphere; |
- 26093-63-0
3-methyltetrahydropyran
- 18069-17-5
2-methylglutaric acid
| Conditions | Yield |
|---|---|
| With sodium bromate; potassium hydrogensulfate In water at 25 - 30℃; for 120h; Oxidation; | 87% |
- 500-05-0
2H-pyran-2-one-5-carboxylic acid
A
- 5807-38-5
6-oxo-tetrahydro-pyran-3-carboxylic acid
B
- 18069-17-5
2-methylglutaric acid
| Conditions | Yield |
|---|---|
| With methanol; palladium on activated charcoal Hydrogenation; |
- 6018-41-3
methyl coumalate
- 18069-17-5
2-methylglutaric acid
| Conditions | Yield |
|---|---|
| With methanol; platinum(IV) oxide Hydrogenation.Verseifung der NaHCO3-loeslichen Anteile des Reaktionsprodukts mit konz. HCl; |
- 74457-59-3
2,6-dimethyl-5-oxo-heptanoic acid
- 18069-17-5
2-methylglutaric acid
| Conditions | Yield |
|---|---|
| bei weiterer Oxidation; α-methyl-isobutyryl-butyric acid from dihydrocamphorphorone; |
| Conditions | Yield |
|---|---|
| durch Oxidation; substance from carvenone; |
- 67-66-3
chloroform
- 6784-16-3
5-methyl-2-isopropylidenecyclopentanone
A
- 18069-17-5
2-methylglutaric acid
B
- 67-64-1
acetone
| Conditions | Yield |
|---|---|
| bei der Ozonspaltung; |
- 54088-65-2
rac-2,6-dimethylhept-5-enenitrile
A
- 498-21-5, 636-60-2
2-methylbutanedioic acid
B
- 18069-17-5
2-methylglutaric acid
C
- 67-64-1
acetone
| Conditions | Yield |
|---|---|
| bei der Oxydation und nachfolgender Verseifung des Reaktionsproduktes; |
- 74650-83-2
methyl α-methyl-γ-carboethoxy-γ-acetylbutyrate
A
- 18069-17-5
2-methylglutaric acid
B
- 14203-46-4
4-methyl-cyclohexane-1,3-dione
| Conditions | Yield |
|---|---|
| With sodium methylate anschliessend Erwaermen mit wss. KOH; |
Pentanedioic acid,2-methyl- Specification
The Pentanedioic acid,2-methyl-, with the CAS registry number 18069-17-5, is also known as alpha-Methylglutaric acid. It belongs to the product categories of Miscellaneous Biochemicals; C6; Carbonyl Compounds; Carboxylic Acids. Its EINECS registry number is 210-521-7. This chemical's molecular formula is C6H10O4 and molecular weight is 146.1412. Its IUPAC name is called 2-methylpentanedioic acid. What's more. this chemical is white to almost white fine crystalline powder.
Physical properties of Pentanedioic acid,2-methyl-: (1)ACD/LogP: -0.69; (2)ACD/LogD (pH 5.5): -2.35; (3)ACD/LogD (pH 7.4): -5.31; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (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.
Preparation of Pentanedioic acid,2-methyl-: this chemical can be prepared by 3-Methyl-tetrahydro-pyran. This reaction is a kind of Oxidation. It will need reagents NaBrO3, KHSO4 and solvent H2O. The reaction time is 120 hours with reaction temperature of 25 - 30 °C. The yield is about 87%.
Uses of Pentanedioic acid,2-methyl-: it can be used to produce 2-methyl-pentanedioic acid anhydride. This reaction will need reagent acetyl chloride.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(CCC(=O)O)C(=O)O
(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)
(3)InChIKey: AQYCMVICBNBXNA-UHFFFAOYSA-N
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