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Linalool

CAT: 0572-TRC-L465950-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-L465950-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
78-70-6
Synonyms
1,6-Octadien-3-ol, 3,7-dimethyl-; 2,6-Dimethyl-2,7-octadien-6-ol; 2-Methyl-1-prenyl-3-buten-2-ol; 3,7-Dimethyl-1,6-octadien-3-ol; 3,7-Dimethyl-1,6-octadiene-3-ol; 3,7-Dimethyl-3-hydroxy-1,6-octadiene; 3,7-Dimethyl-3-ol-1,6-octadiene; L 260-2; Linalol; Linalool; Linalyl alcohol; Linanool; NSC 3789; Phantol; dl-Linalool; (+/-)-Linalool; beta-Linalool
Hazard Statement
Combustible liquid
Smiles
CC(=CCCC(C)(O)C=C)C
Molecular Formula
C10 H18 O
Molecular Weight
154.249
InChI
InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3
Additionnal Information
IUPAC name: 3,7-dimethylocta-1,6-dien-3-ol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Linalool

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 Ocimum canum. It has a role as a volatile oil component, an antimicrobial agent, a fragrance and a plant metabolite. It is a monoterpenoid and a tertiary alcohol.

CAS Number78-70-6
PubChem CID6549
IUPAC Name3,7-dimethylocta-1,6-dien-3-ol
Molecular FormulaC10H18O
Molecular Weight154.25
XLogP2.7
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity154
SMILES
CC(=CCCC(C)(C=C)O)C
InChI
InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3
InChIKey
CDOSHBSSFJOMGT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Linalool
CAS: 78-70-6
CID: 6549
Formula: C10H18O
MW: 154.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.25
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass154.135765193
Monoisotopic Mass154.135765193
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity154
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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