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] |
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Vapor Pressure | 0.0000172 [mmHg] |
Kovats Retention Index | 2157 2174 2174 2169 2157 |
Chemical Classes | Other Classes -> Esters, Other |
SAFETY INFORMATION
Signal word | Warning |
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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 |
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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.