1070-83-3
Product Name:
3,3-Dimethylbutyric acid
Formula:
C6H12O2
Synonyms:
tert-Butylacetic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid; mp = 6-7 deg C; [Merck Index] Stench of an odor; [Alfa Aesar MSDS] |
|---|---|
| Chemical Classes | Other Classes -> Organic Acids |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P363:Wash contaminated clothing before reuse. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 116.16 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 116.083729621 g/mol |
| Monoisotopic Mass | 116.083729621 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 89.2 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3,3-dimethylbutyric acid is a dimethylbutyric acid in which both methyl substituents are at C3; used as an intermediate in the synthesis of medicines and agricultural chemicals.