54947-74-9
Product Name:
4-Methyloctanoic acid
Formula:
C9H18O2
Synonyms:
(R,S)-(+,-)-4-Methyloctanoic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | clear, colourless liquid with a goat, costus, mutton odour |
|---|---|
| Density | 0.900-0.908 (20°/20°) |
| Refractive Index | 1.433-1.440 |
| Kovats Retention Index | 2097 2131 2111 2083 |
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 | 158.24 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 158.130679813 g/mol |
| Monoisotopic Mass | 158.130679813 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 110 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
4-methyl-octanoic acid is a medium-chain fatty acid.