111-06-8
Product Name:
PALMITIC ACID N-BUTYL ESTER
Formula:
C20H40O2
Synonyms:
Butyl hexadecanoate;Palmitic acid butyl ester
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Light yellow liquid or solid with a pleasant fruity odor; mp = 17 deg C; [Chem Service MSDS] |
|---|---|
| Vapor Pressure | 0.0000172 [mmHg] |
| Kovats Retention Index | 2157 2174 2174 2169 2157 |
| Chemical Classes | Other Classes -> Esters, Other |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 312.5 g/mol |
|---|---|
| XLogP3 | 8.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 18 |
| Exact Mass | 312.302830514 g/mol |
| Monoisotopic Mass | 312.302830514 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 226 |
| 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
Butyl hexadecanoate is a hexadecanoate ester obtained by formal condensation of the carboxy group of hexadecanoic acid with the hydroxy group of butanol. It has a role as an animal metabolite, a plant metabolite and an insect repellent.