Trans-Nerolidol (Standard)

Chemical Information
Nerolidol is a farnesane sesquiterpenoid that is dodeca-1,6,10-triene which carries methyl groups at positions 3, 7 and 11 and a hydroxy group at position 3. It is a natural product that is present in various flowers and plants with a floral odor. Chemically, it exists in two geometric isomers, trans and cis forms. It is widely used in cosmetics (e.g. shampoos and perfumes), in non-cosmetic products (e.g. detergents and cleansers) and also as a food flavoring agent. It has a role as an antioxidant, a herbicide, an insect attractant, a pheromone, a volatile oil component, a flavouring agent, an antihypertensive agent, an antifungal agent, a neuroprotective agent, a cosmetic and an anti-inflammatory agent. It is a volatile organic compound, a tertiary allylic alcohol and a farnesane sesquiterpenoid.
| CAS Number | 40716-66-3 |
| PubChem CID | 5284507 |
| IUPAC Name | (6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol |
| Molecular Formula | C15H26O |
| Molecular Weight | 222.37 |
| XLogP | 4.6 |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 269 |
| Property | Value |
|---|---|
| Molecular Weight | 222.37 |
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 7 |
| Exact Mass | 222.198365449 |
| Monoisotopic Mass | 222.198365449 |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 269 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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