Name | 3-Methyladipic acid |
Synonyms | 3-methyladipate 3-METHYLADIPIC ACID 3-Methyladipic acid 3-methylhexanedioate 3-METHYLHEXANEDIOIC ACID 3-Methylhexanedioic acid (3S)-3-methylhexanedioate Hexanedioic acid, 3-methyl- |
CAS | 3058-01-3 |
EINECS | 221-293-3 |
InChI | InChI=1/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)/p-2/t5-/m0/s1 |
Molecular Formula | C7H12O4 |
Molar Mass | 160.17 |
Density | 1.197 |
Melting Point | 100-102 °C (lit.) |
Boling Point | 230 °C/30 mmHg (lit.) |
Flash Point | 171 °C |
Water Solubility | 198.7g/L(25.9 ºC) |
Solubility | 198.7g/L(25.9 °C) |
Vapor Presure | 1.47E-05mmHg at 25°C |
Appearance | powder to crystal |
Color | White to Almost white |
pKa | 4.66±0.10(Predicted) |
Storage Condition | 2-8℃ |
Refractive Index | 1.4336 (estimate) |
MDL | MFCD00002804 |
Hazard Symbols | Xi - Irritant |
Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. |
WGK Germany | 3 |
HS Code | 29171990 |
Biological activity | 3-Methyladipic acid is a metabolite of phytanic acid catabolism. |