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2-Phenyl-2-propanol (Standard)

CAT: 0804-HY-W015810RSize: 1 EachDry Ice: NoHazardous: No
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Description
2-Phenyl-2-propanol (Standard) is the analytical standard of 2-Phenyl-2-propanol. This product is intended for research and analytical applications. 2-Phenyl 2-propanol is an important intermediate for the synthesis of diisopropylbenzene peroxide, often used as an additive to fragrances and cosmetics[1].
CAS Number
617-94-7
Target
Biochemical Assay Reagents; Reference Standards
Related Pathways
Others
Field of Research
Others
Smiles
CC(O)(C1=CC=CC=C1)C
Molecular Formula
C9H12O
Molecular Weight
136.19
References & Citations
[1]Scognamiglio J, et al. Fragrance material review on 2-phenyl-2-propanol. Food Chem Toxicol. 2012 Sep;50 Suppl 2:S130-3.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

2-Phenyl-2-propanol

2-phenylpropan-2-ol is a tertiary alcohol that is isopropanol in which the hydrogen attached to the carbon bearing the hydroxy group has been replaced by a phenyl group. It has a role as a Mycoplasma genitalium metabolite and a human xenobiotic metabolite. It is a member of benzyl alcohols and a tertiary alcohol. It derives from a hydride of a cumene.

CAS Number617-94-7
PubChem CID12053
IUPAC Name2-phenylpropan-2-ol
Molecular FormulaC9H12O
Molecular Weight136.19
XLogP1.8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity101
SMILES
CC(C)(C1=CC=CC=C1)O
InChI
InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3
InChIKey
BDCFWIDZNLCTMF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Phenyl-2-propanol
CAS: 617-94-7
CID: 12053
Formula: C9H12O
MW: 136.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.19
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass136.088815002
Monoisotopic Mass136.088815002
Topological Polar Surface Area20.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity101
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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