Linalool, (+/-)-

Linalool, (+/-)-
Compound Structure:
Synonyms: 3,7-dimethylocta-1,6-dien-3-ol; Linalool; Linalol; LINALYL ALCOHOL; 3,7-Dimethyl-1,6-octadien-3-ol; allo-Ocimenol; beta-Linalool; (+/-)-Linalool; Phantol; 1,6-Octadien-3-ol, 3,7-dimethyl-; p-Linalool; Linanool; (+/-)-linalool; 2,6-Dimethyl-2,7-octadien-6-
Compound ID: NMPC-1202
PubChem ID:

6549

Molecular Formula: C10H18O
Canonical SMILES: CC(=CCCC(C)(C=C)O)C
InChIKey: CDOSHBSSFJOMGT-UHFFFAOYSA-N
About the compound:

Linalool is a monoterpenoid that is octa-1,6-diene substituted by methyl groups at positions 3 and 7 and a hydroxy group at position 3. It has been isolated from plants like Ocimumcanum. It has a role as a plant metabolite, a volatile oil component, an antimicrobial agent and a fragrance. It is a tertiary alcohol and a monoterpenoid.

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

154.25 g/mol

XLogP3-AA

2.7

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

4

Exact Mass

154.135765193 g/mol

Monoisotopic Mass

154.135765193 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

11

Formal Charge

0

Complexity

154

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Solid

Boiling Point

194.00 to 197.00 °C. @ 760.00 mm Hg

Melting Point

< 25 °C

Source: PubChem            

Source Species: Crateva adansonii
Dennettia tripetala
Ficus asperifolia
Gmelina arborea
Gongronema latifolium
Heeria insignis
Klainedoxa gabonensis
Ocimum basilicum
Phyllanthus muellerianus
Tetrapleura tetraptera
Tithonia diversifolia
Vitex doniana
Cymbopogon citratus
Eremomastax speciosa
Zingiber officinale
Piliostigma thonningii.
Hirsute Palisota
Tithonia rotundifolia
Eucalyptus cloeziana
Boswellia dalzielii
Brachystegia eurycoma
Eucalyptus tereticornis
Hyparrhenia rufa
Tagetes erecta
Acalypha segetalis
Eucalyptus torelliana
Morinda lucida
Mucuna pruriens
Murraya Koenigii
Luffa cylindrica
Plumeria alba
Pteris togoensis
Pyrenacantha staudtii
Tecoma stans
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