(cis)-Linalool oxide

Compound Structure:

Synonyms:

Linalyl oxide; Epoxylinalool; linalooloxide; 2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol; Linolool oxide;2-(2-Hydroxy-2-propyl)-5-methyl-5-vinyltetrahydrofuran;2-Methyl-2-vinyl-5-(1-hydroxy-1-methylethyl)tetrahydrofuran;5-(1-Hydroxy-1-methylethyl)-2-meth

Compound ID:

NMPC-031

PubChem ID:

22310

Molecular Formula:

C10H18O2

Canonical SMILES:

CC1(CCC(O1)C(C)(C)O)C=C

InChIKey:

BRHDDEIRQPDPMG-UHFFFAOYSA-N

About the compound:

Linalyl oxide is an oxide derivative of linalool, a well-known monoterpenoid. The oxide function typically involves the introduction of an oxygen atom to form an epoxide ring. Linalyl oxide is a natural product found in Pulicaria arabica, Carica papaya, and Camellia sinensis Due to its aromatic properties, linalyl oxide can be used as a fragrant compound in the perfume industry. Linalyl oxide, like many other terpenoids, can be used as a flavoring agent in certain food and beverage products.

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

• H314 (23.17%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

• H315 (54.88%): Causes skin irritation [Warning Skin corrosion/irritation]

• H319 (20.12%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

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	29.5Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	186
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

Source: PubChem

Source Species:

Pachira glabra
Eucalyptus tereticornis
Mucuna pruriens
Plumeria alba

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