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617-94-7,MFCD00004456
Catalog No.:AA003HSA
617-94-7 | 2-Phenyl-2-propanol
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25g
97%
in stock  
$50.00   $35.00
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100g
97%
in stock  
$172.00   $120.00
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500g
97%
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$858.00   $600.00
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Technical Information
Catalog Number:
AA003HSA
Chemical Name:
2-Phenyl-2-propanol
CAS Number:
617-94-7
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
MDL Number:
MFCD00004456
IUPAC Name:
2-phenylpropan-2-ol
InChI:
InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3
InChI Key:
BDCFWIDZNLCTMF-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)(O)C
EC Number:
210-539-5
UNII:
JE030BGE05
Properties
Computed Properties
 
Complexity:
101  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.089g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
136.194g/mol
Monoisotopic Mass:
136.089g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
2-phenyl-2-propanol 
2-phenylpropanol-2 
Phenyldimethylcarbinol 
C9H12O 
2 - phenylpropan - 2 - ol 
C9-H12-O 
CID12053 
Phenylpropanol, 2-; (Dimethylphenylmethanol) 
C017623 
2-PHENYLISOPROPANOL 
alpha,alpha-Dimethylbenzyl alcohol 
2-Propanol, 2-phenyl- 
2-phenyl-propan-2-ol 
Dimethyl phenyl carbinol 
alpha,alpha-Dimethylbenzenemethanol 
Benzenemethanol, .alpha.,.alpha.-dimethyl- 
NSC 1261 
UNII-JE030BGE05 
dimethylphenylcarbinol 
NSC 212537 
.alpha.-Cumyl alcohol 
HSDB 5718 
EINECS 210-539-5 
a,a-dimethylbenzyl alcohol 
MFCD00004456 
Benzenemethanol, alpha,alpha-dimethyl- 
Benzyl alcohol, alpha,alpha-dimethyl- 
BRN 1905012 
AI3-05532 
2-Phenyl-2-propanol 
Benzyl alcohol, .alpha.,.alpha.-dimethyl- 
JE030BGE05 
BDCFWIDZNLCTMF-UHFFFAOYSA-N 
.alpha.,.alpha.-Dimethylbenzyl alcohol 
2-Phenyl-2-propanol, 99% 
Benzyl alcohol,.alpha.-dimethyl- 
Benzenemethanol,.alpha.-dimethyl- 
Benzenemethanol, ?,?-dimethyl- 
alpha-Hydroxycumene 
Dimethylbenzyl alcohol 
2-Phenylpropan-2-ol 
dimethylphenyl carbinol 
AC1L1YQL 
2-Phenylisopropyl alcohol 
1-Methyl-1-phenylethanol 
ACMC-1B5PA 
DSSTox_CID_7247 
2-Hydroxy-2-phenylpropane 
EC 210-539-5 
DSSTox_RID_78368 
DSSTox_GSID_27247 
617-94-7 
4-06-00-03219 (Beilstein Handbook Reference) 
KSC489M5J 
SCHEMBL164244 
2-Phenyl-2-propanol, 97% 
Benzenemethanol, a,a-dimethyl- 
CHEMBL3185495 
DTXSID3027247 
CTK3I9654 
alpha,alpha-dimethylbenzyl aldohol 
NSC1261 
Dimethylphenylcarbinol 
(1-hydroxy-1-methylethyl)benzene 
CHEBI:131607 
NSC-1261 
STR08958 
ZINC1591819 
Tox21_200449 
ANW-33947 
NSC212537 
AKOS009158102 
LS11531 
1-Hydroxycumene 
MCULE-1685813708 
NE10320 
NSC-212537 
PS-4036 
RTX-011818 
TRA0059269 
.alpha.,.alpha.-Dimethylbenzenemethanol 
KS-0000053I 
NCGC00248623-01 
NCGC00258003-01 
Dimethylphenylmethanol 
AN-21973 
CAS-617-94-7 
CJ-05598 
CJ-25460 
LS-42910 
SC-89604 
SY021550 
TL8003951 
FT-0613314 
P0213 
alpha-Cumyl alcohol 
ST51037661 
Z3076 
MFCD00004456 (98%) 
W-105093 
I01-10409 
InChI=1/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H 
Cumyl alcohol 
2-phenylpropanol-2 
DMPC 
C(C)(C)(O)c1ccccc1 
Literature

Title: Screening of endocrine activity of compounds migrating from plastic baby bottles using a multi-receptor panel of in vitro bioassays.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20161201

Title: Hydrogen abstraction from cyclic amines by the cumyloxyl and benzyloxyl radicals. The role of stereoelectronic effects and of substrate/radical hydrogen bonding.

Journal: The Journal of organic chemistry 20121005

Title: Fragrance material review on 2-phenyl-2-propanol.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20120901

Title: Kinetic solvent effects on hydrogen abstraction from phenol by the cumyloxyl radical. Toward an understanding of the role of protic solvents.

Journal: The Journal of organic chemistry 20120203

Title: Understanding kinetic solvent effects on hydrogen abstraction reactions from carbon by the cumyloxyl radical.

Journal: Organic letters 20111118

Title: Photochemical activation of ruthenium(II)-pyridylamine complexes having a pyridine-N-oxide pendant toward oxygenation of organic substrates.

Journal: Journal of the American Chemical Society 20111109

Title: Hydrogen atom abstraction selectivity in the reactions of alkylamines with the benzyloxyl and cumyloxyl radicals. The importance of structure and of substrate radical hydrogen bonding.

Journal: Journal of the American Chemical Society 20111019

Title: Nickel(II) complexes of tripodal 4N ligands as catalysts for alkane oxidation using m-CPBA as oxidant: ligand stereoelectronic effects on catalysis.

Journal: Dalton transactions (Cambridge, England : 2003) 20111007

Title: Hydrogen atom abstraction reactions from tertiary amines by benzyloxyl and cumyloxyl radicals: influence of structure on the rate-determining formation of a hydrogen-bonded prereaction complex.

Journal: The Journal of organic chemistry 20110805

Title: One-electron oxidation of ferrocenes by short-lived N-oxyl radicals. The role of structural effects on the intrinsic electron transfer reactivities.

Journal: Organic & biomolecular chemistry 20110607

Title: Kinetic solvent effects on hydrogen abstraction reactions from carbon by the cumyloxyl radical. The importance of solvent hydrogen-bond interactions with the substrate and the abstracting radical.

Journal: The Journal of organic chemistry 20110603

Title: Solvent polarity affects H atom abstractions from C-H donors.

Journal: Organic letters 20110520

Title: Kinetic and chemical characterization of thermal decomposition of dicumylperoxide in cumene.

Journal: Journal of hazardous materials 20110315

Title: Disposition and metabolism of cumene in F344 rats and B6C3F1 mice.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20110301

Title: Diffusion controlled hydrogen atom abstraction from tertiary amines by the benzyloxyl radical. The importance of C-H/N hydrogen bonding.

Journal: Organic letters 20110121

Title: Electron transfer properties of alkoxyl radicals. A time-resolved kinetic study of the reactions of the tert-butoxyl, cumyloxyl, and benzyloxyl radicals with alkyl ferrocenes.

Journal: The Journal of organic chemistry 20100903

Title: Kinetic solvent effects on hydrogen abstraction reactions from carbon by the cumyloxyl radical. The role of hydrogen bonding.

Journal: Organic letters 20100820

Title: The role of structural effects on the reactions of alkoxyl radicals with trialkyl and triaryl phosphites. A time-resolved kinetic study.

Journal: The Journal of organic chemistry 20100702

Title: Cumene hydroperoxide hydrogenation over Pd/C catalysts.

Journal: Journal of hazardous materials 20100315

Title: Radical scavenging reactivity of catecholamine neurotransmitters and the inhibition effect for DNA cleavage.

Journal: The journal of physical chemistry. B 20100114

Title: Electron-transfer properties of short-lived N-oxyl radicals. Kinetic study of the reactions of benzotriazole-N-oxyl radicals with ferrocenes. Comparison with the phthalimide-N-oxyl radical.

Journal: The Journal of organic chemistry 20090807

Title: Chemoselective and biomimetic hydroxylation of hydrocarbons by non-heme micro-oxo-bridged diiron(III) catalysts using m-CPBA as oxidant.

Journal: Dalton transactions (Cambridge, England : 2003) 20090714

Title: Phenyl bridging in ring-substituted cumyloxyl radicals. A product and time-resolved kinetic study.

Journal: Organic letters 20090604

Title: Phenol-based lipophilic fluorescent antioxidant indicators: a rational approach.

Journal: The Journal of organic chemistry 20090515

Title: Solvent effects on the AIBN forced degradation of cumene: Implications for forced degradation practices.

Journal: Journal of pharmaceutical sciences 20090301

Title: Reactions of cumene hydroperoxide mixed with sodium hydroxide.

Journal: Journal of hazardous materials 20080415

Title: A kinetic study of the electron-transfer reaction of the phthalimide-N-oxyl radical (PINO) with ferrocenes.

Journal: The Journal of organic chemistry 20071109

Title: Gas-phase transfer of polymer cross-linking agents and by-products to solid oral pharmaceuticals.

Journal: Journal of pharmaceutical and biomedical analysis 20071105

Title: Kinetic solvent effects on hydrogen abstraction reactions.

Journal: Organic letters 20070719

Title: Steric effects in the uncatalyzed and DMAP-catalyzed acylation of alcohols-quantifying the window of opportunity in kinetic resolution experiments.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20060724

Title: Structural effects on the beta-scission reaction of tertiary arylcarbinyloxyl radicals. The role of alpha-cyclopropyl and alpha-cyclobutyl groups.

Journal: The Journal of organic chemistry 20050819

Title: Cumene oxidation by cis-[RuIV(bpy)2(py)(O)]2+, revisited.

Journal: Inorganic chemistry 20040223

Title: Separation and identification of DMPO adducts of oxygen-centered radicals formed from organic hydroperoxides by HPLC-ESR, ESI-MS and MS/MS.

Journal: Journal of the American Society for Mass Spectrometry 20030801

Title: Generation and reactivity toward oxygen of carbon-centered radicals containing indane, indene, and fluorenyl moieties.

Journal: The Journal of organic chemistry 20030418

Title: The yeast glutaredoxins are active as glutathione peroxidases.

Journal: The Journal of biological chemistry 20020510

Title: Spectral properties and absolute rate constants for beta-scission of ring-substituted cumyloxyl radicals. A laser flash photolysis study.

Journal: The Journal of organic chemistry 20020405

Title: The deprotonation of benzyl alcohol radical cations: a mechanistic dichotomy in the gas phase as in solution.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20020118

Title: Diversity in mechanisms of substrate oxidation by cytochrome P450 2D6. Lack of an allosteric role of NADPH-cytochrome P450 reductase in catalytic regioselectivity.

Journal: The Journal of biological chemistry 20011026

Title: Switch-over in photochemical reaction mechanism from hydrogen abstraction to exciplex-induced quenching: interaction of triplet-excited versus singlet-excited acetone versus cumyloxyl radicals with amines.

Journal: Journal of the American Chemical Society 20011010

Title: Role of THR501 residue in substrate binding and catalytic activity of cytochrome P4501A1.

Journal: Archives of biochemistry and biophysics 20010501

Title: Structural effects on the OH-promoted fragmentation of methoxy-substituted 1-arylalkanol radical cations in aqueous solution: the role of oxygen acidity.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20010401

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