Name | 2,2-dimethylbutyric acid |
Synonyms | NEOHEXANOIC ACID DiMethylbutyric Aci 2,2-Dimethylbutanoic 2,2-dimethylbutanoate 2,2-two Methyl butyrate 2,2-Dimethylbutyryl acid 2,2-dimethylbutyric acid 2,2-dimethylbutanoic acid 2,2-Dimethyl butyric acid 2,2-DIMETHYL-N-BUTYRIC ACI 2,2-Dimethyl-n-butyric Acid 2,2-Dimethylbutyric acid 595-37-9 |
CAS | 595-37-9 |
EINECS | 209-865-0 |
InChI | InChI=1/C6H12O2/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8)/p-1 |
InChIKey | VUAXHMVRKOTJKP-UHFFFAOYSA-N |
Molecular Formula | C6H12O2 |
Molar Mass | 116.16 |
Density | 0.928 g/mL at 25 °C (lit.) |
Melting Point | -14°C |
Boling Point | 94-96 °C/5 mmHg (lit.) |
Flash Point | 175°F |
Solubility | Chloroform (Sparingly), Methanol (Slightly) |
Vapor Presure | 0.286mmHg at 25°C |
Appearance | Liquid |
Specific Gravity | 0.928 |
Color | Clear colorless to pale yellow |
BRN | 1720666 |
pKa | pK1:5.03 (18°C) |
Storage Condition | Refrigerator |
Refractive Index | n20/D 1.4154(lit.) |
Physical and Chemical Properties | Density 0.928 boiling point 94-96°C (5 mmHg) decomposition temperature 176-178°C refractive index 1.4154 flash point 175 °F |
Use | Mainly used as pharmaceutical, pesticide intermediates, lubricants, etc |
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. S36 - Wear suitable protective clothing. |
UN IDs | 3265 |
WGK Germany | 3 |
HS Code | 29156000 |
Hazard Class | 8 |
Packing Group | III |
Decomposition | 176-178 ºC |
LogP | 1-2.3 at 20℃ and pH2.5-6.7 |
NIST chemical information | Information provided by: webbook.nist.gov (external link) |
use | mainly used as medicine, pesticide intermediates, lubricants, etc. |