trans-Linalool oxide

trans-Linalool oxide
Compound Structure:
Synonyms: trans-Linalool oxide; Linalool oxide A; Linalool oxide II; (E)-Linalool oxide A; trans-Linalool 3,6-oxide;E-Linalool oxide (furanoid)
Compound ID: NMPC-058
PubChem ID:

6432254

Molecular Formula: C10H18O2
Canonical SMILES: CC1(CCC(O1)C(C)(C)O)C=C
InChIKey: BRHDDEIRQPDPMG-WCBMZHEXSA-N
About the compound:

Trans-Linalool oxide is a compound belonging to the oxolane group. It can be found in nature, including in plants like Myrtus communis and Cornus officinalis. Additionally, E-Linalool oxide is a metabolite produced by Saccharomyces cerevisiae. Trans-Linalool oxide is related to linalool, an alcohol known for its pleasant floral scent, and can be found in various essential oils. Its presence and concentration can vary depending on the plant source and oil processing. Due to its aromatic properties, trans-Linalool oxide is used in the fragrance industry to enhance the aroma of various perfumes, lotions, and scented products. It may also find applications in flavor formulations, contributing to the taste and aromatic profiles of different products, depending on its specific characteristics.

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

170.25 g/mol

XLogP3-AA

1.4

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

2

Exact Mass

170.130679813 g/mol

Monoisotopic Mass

170.130679813 g/mol

Topological Polar Surface Area

29.5Ų

Heavy Atom Count

12

Formal Charge

0

Complexity

186

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

Boiling Point

201.00 to 202.00 °C. @ 760.00 mm Hg

Source: PubChem

Source Species: Eucalyptus tereticornis
Mucuna pruriens
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