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Terpin EP Impurity B (cis-beta-Terpineol)

CAT: 1596-AR-T06314-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T06314-01Size:10 Units
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CAS Number
148552-65-2
Synonyms
(1s,4s) -1-methyl-4- (prop-1-en-2-yl) cyclohexan-1-ol
Molecular Formula
C10H18O
Molecular Weight
154.25
API Name
Terpineol

Chemical Information

Beta-Terpineol

Beta-terpineol is a member of the class of terpineols that is cyclohexanol carrying additional methyl and propenyl substituents at positions 1 and 4 respectively. It has a role as a volatile oil component, a fragrance and a plant metabolite. It is a terpineol and a tertiary alcohol.

CAS Number148552-65-2
PubChem CID8748
IUPAC Name1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
Molecular FormulaC10H18O
Molecular Weight154.25
XLogP2.5
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity152
SMILES
CC(=C)C1CCC(CC1)(C)O
InChI
InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h9,11H,1,4-7H2,2-3H3
InChIKey
RUJPNZNXGCHGID-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Beta-Terpineol
CAS: 148552-65-2
CID: 8748
Formula: C10H18O
MW: 154.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.25
XLogP32.5
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
Complexity152
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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