CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear light yellow liquid; [Sigma-Aldrich MSDS] |
|---|---|
| Kovats Retention Index | 1627 |
| Chemical Classes | Other Classes -> Organic Acids |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H341:Germ cell mutagenicity H351:Carcinogenicity H412:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. 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. |
COMPUTED DESCRIPTORS
| Molecular Weight | 86.09 g/mol |
|---|---|
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 86.036779430 g/mol |
| Monoisotopic Mass | 86.036779430 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 65.9 |
| 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
But-3-enoic acid is that isomer of butenoic acid having the double bond at position C-3. It is a conjugate acid of a but-3-enoate.