40716-66-3
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colourless or very pale straw-coloured oily liquid; Faint woody-floral, slightly rose apple aroma |
|---|---|
| Solubility | Soluble in most fixed oils and propylene glycol; slightly soluble in water; insoluble in glycerol |
| Density | 0.872-0.879 |
| Refractive Index | 1.478-1.483 |
| Kovats Retention Index | 1548 1555 1556 1560 1547 1541 1546 1547 1535 1556 1547 1591 1540 1555 1565 1579 1547 1553 1549 1536 1544 1548 1545 1544 1544 1550 1542 1530 1538.5 1541.3 1545.2 1544 1545 1547 1544 1544 1550 1547 1549 1549 1547 1547 1549 1549 1547 1552 1562 1547 1547 1547 1554 1540 1538 1547 1520 1564 1558 1548 1549 1548 1551 1552 1553 1557 1552 1563 1553 1547 1550 1548 1548 1546 1546 1546 1564 1547 1548 1546 1546.4 1550 1560 1569 1549 1533 1546 1549 1533 1544 1549 1567 1549 1548 1550 1563 1542 1551 1545 1552 1587 1550 1547 1551 1553 1553 1561 1549 1536 1544 1555 1562 1550 1557 1550 1552 1554 1554 1549 1524 1549 1537 1550 1538.5 1552 1570 1557 1565 1536 1545 1550 1544 1556 1561 1544 1528 1550 1551 1553 1561 1546 1573.5 1555 1548 1551 1552 1549 1548 1545 1548 1551 1550 1546 1557 1551 1547 1552 1551 1545 1542 1551 1549 1545 1552 1547 1553 1550 1547 1551 1553 1552 1524 1550 1556 1552 1553 1548 1546 1555 1524 1553 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H317:Sensitisation, Skin H319:Serious eye damage/eye irritation H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P273:Avoid release to the environment. 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. |
COMPUTED DESCRIPTORS
| Molecular Weight | 222.37 g/mol |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 7 |
| Exact Mass | 222.198365449 g/mol |
| Monoisotopic Mass | 222.198365449 g/mol |
| 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 |
PRODUCT INTRODUCTION
description
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 a flavouring agent, a cosmetic, a pheromone, a neuroprotective agent, an antifungal agent, an anti-inflammatory agent, an antihypertensive agent, an antioxidant, a volatile oil component, an insect attractant and a herbicide. It is a farnesane sesquiterpenoid, a tertiary allylic alcohol and a volatile organic compound.