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Alpha-terpineol

CAT: 0127-OR936354-03Size: 1 KgDry Ice: NoHazardous: No
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CAT#:0127-OR936354-03Size:1 Kg
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CAS Number
98-55-5
MDL Number
MFCD00001557
Purity
98%
Smiles
CC1=CCC(CC1)C(C)(C)O

Chemical Information

Alpha-Terpineol

Alpha-terpineol is a terpineol that is propan-2-ol substituted by a 4-methylcyclohex-3-en-1-yl group at position 2. It has a role as a plant metabolite.

CAS Number98-55-5
PubChem CID17100
IUPAC Name2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
Molecular FormulaC10H18O
Molecular Weight154.25
XLogP1.8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity168
SMILES
CC1=CCC(CC1)C(C)(C)O
InChI
InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3
InChIKey
WUOACPNHFRMFPN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alpha-Terpineol
CAS: 98-55-5
CID: 17100
Formula: C10H18O
MW: 154.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.25
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass154.135765193
Monoisotopic Mass154.135765193
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity168
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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