CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear colourless liquid; Fruity nutty aroma with hints of coconut |
|---|---|
| Solubility | Practically insoluble or insoluble in water |
| Density | 0.922-0.931 |
| Refractive Index | 1.491-1.500 |
| Kovats Retention Index | 1683 1665 1699 1674 1686 1665 1668 1681 1663 1665 1673 1683 1665 1659 1646.4 1649 1658.5 1659 1668 1667 1671 1668 1674 1674 1665 1668 1667 1674 1667 1690 1673 1668 1650 1664 1666 1685 1662 1667 1673 1667 1673 1681 1656 1664 1673 1665 1671 1668 1662 1676 1670 1688 1669 1656 1670 1673 1675 1669 1677 1675 1675 1656 1672 1675 1675 1667.4 1674 1660 1658 1668 1653 1658 1680 1666 1670 1670 1632 1649 1670 1668 1649 1649 1649 1649 1654 1655 1649 1672 1671 1671 1675 1677 1656 1671 1656 1672 1660 1688 1671 1671 1670 1684 1690 1684 1689 1686 1659 1690 1667 1676 1658 1660 1687 1655 1651 1678 1677 1659 |
COMPUTED DESCRIPTORS
| Molecular Weight | 222.37 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| 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 | 284 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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
(+)-alpha-Bisabolol is a sesquiterpenoid.