77-53-2
Product Name:
Cedrol
Formula:
C15H26O
Synonyms:
(1S,2R,5S,7R,8R)-2,6,6,8-Tetramethyltricyclo[5.3.1.01.5]undecan-8-ol
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Pale yellow to yellow green solid; Sweet fruity cedar-like aroma |
|---|---|
| Color/Form | Needles from dilute methanol |
| Odor | Woody-earthy |
| Boiling Point | 286 °C |
| Melting Point | 86 °C |
| Solubility | Soluble in benzyl benzoate, slightly soluble in glycol and mineral oil |
| Density | 0.9479 g/cu cm at 90 °C |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Optical Rotation | Optical rotation: +9.9 deg at 28/D (c = 5 in chloroform) |
| Refractive Index | Index of refraction: 1.4825 at 90 °C |
| Collision Cross Section | 145.9 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 222.37 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| 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 | 321 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| 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
Cedrol is a cedrane sesquiterpenoid and a tertiary alcohol.