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103-05-9,MFCD00004472
Catalog No.:AA003HKK
103-05-9 | 2-METHYL-4-PHENYL-2-BUTANOL
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Purity
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25g
>99.0%(GC)
1 week  
$103.00
- +
100g
>99.0%(GC)
1 week  
$207.00
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500g
>99.0%(GC)
1 week  
$599.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HKK
Chemical Name:
2-METHYL-4-PHENYL-2-BUTANOL
CAS Number:
103-05-9
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
MDL Number:
MFCD00004472
IUPAC Name:
2-methyl-4-phenylbutan-2-ol
InChI:
InChI=1S/C11H16O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
InChI Key:
YXVSKJDFNJFXAJ-UHFFFAOYSA-N
SMILES:
CC(CCc1ccccc1)(O)C
EC Number:
203-074-4
UNII:
9Y5UX90TZ4
NSC Number:
62145
FEMA Number:
3629
Properties
Computed Properties
 
Complexity:
123  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.12g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.248g/mol
Monoisotopic Mass:
164.12g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
2-methyl-4-phenyl-2-butanol 
2-Methyl-4-phenyl-2-butanol 
1,1-Dimethyl-3-phenylpropanol 
2-Phenethyl-2-propanol 
1,1-Dimethyl-3-phenyl-1-propanol 
2-(2-Phenylethyl)-2-propanol 
Phenethyl dimethyl carbinol 
Dimethylphenylethyl carbinol 
2-BUTANOL, 2-METHYL-4-PHENYL- 
1,1-Dimethyl-3-phenylpropyl alcohol 
alpha,alpha-Dimethylbenzenepropanol 
Benzenepropanol, .alpha.,.alpha.-dimethyl- 
2-Methyl-4-phenylbutan-2-ol 
UNII-9Y5UX90TZ4 
NSC 62145 
FEMA No. 3629 
alpha,alpha-Dimethyl-gamma-phenylpropyl alcohol 
EINECS 203-074-4 
Benzenepropanol, alpha,alpha-dimethyl- 
1-Propanol, 1,1-dimethyl-3-phenyl- 
BRN 2076770 
AI3-24192 
9Y5UX90TZ4 
103-05-9 
2-methyl-4-phenyl-butan-2-ol 
YXVSKJDFNJFXAJ-UHFFFAOYSA-N 
1-Propanol, 1,1-dimethyl-3-phenyl- (8CI) 
muguet carbinol 
AC1Q1NOI 
phenylethyldimethylcarbinol 
DSSTox_CID_1851 
AC1L1P7D 
2-Phenylethyldimethylcarbinol 
ACMC-1C0T5 
Dimethylphenylethylcarbinol 
DSSTox_RID_76365 
DSSTox_GSID_21851 
imethyl phenyl ethyl carbinol 
SCHEMBL272368 
1-Phenyl-3-methylbutan-3-ol 
Benzenepropanol, a,a-dimethyl- 
CHEMBL3182328 
Dimethyl-beta-phenylethylcarbinol 
DTXSID3021851 
CTK4A1709 
Benzyl-tert-butanol 
FEMA 3629 
YXVSKJDFNJFXAJ-UHFFFAOYSA- 
4-cyclohexyl-2-methylbutan-2-ol 
a,a-Dimethylbenzenepropanol, 9CI 
1-Propanol,1-dimethyl-3-phenyl- 
alpha,alpha-Dimethyl-Benzenepropanol 
NSC62145 
ZINC1691037 
Tox21_302631 
ANW-14795 
Benzyl-t-butanol 
BBL018826 
MFCD00004472 
NSC-62145 
STL195387 
1, 1-Dimethyl-3-phenyl-1-propanol 
3-METHYL-1-PHENYL-3-BUTANOL 
AKOS009157138 
WLN: QX1 & 1 & 2R 
LS-2955 
MCULE-7291109100 
Dimethylphenethylcarbinol 
.alpha.,.alpha.-Dimethylbenzenepropanol 
Benzenepropanol, alpha, alpha-dimethyl- 
alpha,alpha-Dimethylbenzenepropanol, 97% 
NCGC00256823-01 
AN-24620 
CAS-103-05-9 
CJ-28168 
R410 
alpha,alpha-dimethyl-alpha,alpha-dimethyl- 
TC-103540 
Dimethyl phenylethyl carbinol 
FT-0712044 
M0398 
T7273 
EN300-66318 
W-109381 
.alpha.,.alpha.-Dimethyl-.delta.-phenylpropyl alcohol 
.alpha.,.alpha.-Dimethyl-.gamma.-phenylpropyl alcohol 
I14-52017 
Z1259339737 
InChI=1/C11H16O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3 
Phenylethyl dimethyl carbinol 
Benzenepropanol, ?,?-dimethyl- 
|A,|A-Dimethylbenzenepropanol 
C11H16O 
CID7632 
Benzenepropanol,.alpha.-dimethyl- 
C11-H16-O 
2 - methyl - 4 - phenylbutan - 2 - ol 
4-06-00-03380 (Beilstein Handbook Reference) 
3280-08-8 
Literature

Title: Fragrance material review on 2-methyl-4-phenyl-2-butanol.

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

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