593-39-5
Product Name:
PETROSELINIC ACID
Formula:
C18H34O2
Synonyms:
cis-6-Octadecenoic acid;5-Heptadecylene-1-carboxylic acid;6-Octadecylenic acid;C18:1n-12
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 175.5 Ų [M-H]- |
|---|---|
| Kovats Retention Index | 2073 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. 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 | 282.5 g/mol |
|---|---|
| XLogP3 | 7.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 15 |
| Exact Mass | 282.255880323 g/mol |
| Monoisotopic Mass | 282.255880323 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 234 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Petroselinic acid is the cis-isomer of octadec-6-enoic acid, a long-chain fatty acid. It has a role as a plant metabolite. It is a conjugate acid of a petroselinate.