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rac-Lavandulol

CAT: 0572-TRC-L195300-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-L195300-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
58461-27-1
Synonyms
4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-; 4-Hexen-1-ol, 2-isopropenyl-5-methyl- (7CI); (±)-Lavandulol; 2-Isopropenyl-5-methyl-4-hexen-1-ol
Hazard Statement
No Data Available
Smiles
CC(=CCC(CO)C(=C)C)C
Molecular Formula
C10 H18 O
Molecular Weight
154.25
InChI
InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h5,10-11H,3,6-7H2,1-2,4H3
Additionnal Information
IUPAC name: 5-methyl-2-prop-1-en-2-ylhex-4-en-1-ol
Shipping Conditions
Room Temperature

Chemical Information

Lavandulol, (+-)-

Lavandulol is a monoterpenoid alcohol that is hepta-1-5-diene which is substituted at positions 2 and 6 by methyl groups and at position 3 by a hydroxymethyl group. It is commonly found in lavender oil. It has a role as a pheromone, a fragrance and a plant metabolite. It is a primary alcohol and a monoterpenoid.

CAS Number58461-27-1
PubChem CID94060
IUPAC Name5-methyl-2-prop-1-en-2-ylhex-4-en-1-ol
Molecular FormulaC10H18O
Molecular Weight154.25
XLogP3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity152
SMILES
CC(=CCC(CO)C(=C)C)C
InChI
InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h5,10-11H,3,6-7H2,1-2,4H3
InChIKey
CZVXBFUKBZRMKR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lavandulol, (+-)-
CAS: 58461-27-1
CID: 94060
Formula: C10H18O
MW: 154.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.25
XLogP33
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
Complexity152
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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