36431-72-8
Product Name:
2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-ene
Formula:
C13H22O
Synonyms:
(±)-Theaspirane;2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-ene
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colourless liquid |
|---|---|
| Boiling Point | 68.00 to 72.00 °C. @ 3.00 mm Hg |
| Solubility | Insoluble in water, soluble in fats |
| Density | 0.926-0.958 |
| Refractive Index | 1.475-1.495 |
| Kovats Retention Index | 1288 1297 1290 1303 1289 |
COMPUTED DESCRIPTORS
| Molecular Weight | 194.31 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 194.167065321 g/mol |
| Monoisotopic Mass | 194.167065321 g/mol |
| Topological Polar Surface Area | 9.2 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 264 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Theaspirane is a norisoprenoid with forumula C13H22O that is a flavour component found in various essential oils such as raspberry oil and passion fruit oil. It has a role as a fragrance, a flavouring agent and a volatile oil component. It is an oxaspiro compound, a volatile organic compound, a norisoprenoid and an olefinic compound.