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464-07-3,MFCD00004522
Catalog No.:AA003IAH
464-07-3 | 3,3-DIMETHYL-2-BUTANOL
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1g
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$55.00   $39.00
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5g
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Technical Information
Catalog Number:
AA003IAH
Chemical Name:
3,3-DIMETHYL-2-BUTANOL
CAS Number:
464-07-3
Molecular Formula:
C6H14O
Molecular Weight:
102.1748
MDL Number:
MFCD00004522
IUPAC Name:
3,3-dimethylbutan-2-ol
InChI:
InChI=1S/C6H14O/c1-5(7)6(2,3)4/h5,7H,1-4H3
InChI Key:
DFOXKPDFWGNLJU-UHFFFAOYSA-N
SMILES:
CC(C(C)(C)C)O
EC Number:
207-347-9
NSC Number:
939
Properties
Computed Properties
 
Complexity:
51.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
102.104g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
102.177g/mol
Monoisotopic Mass:
102.104g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Synonyms
 
3,3-dimethyl-2-butanol 
pinacolyl alcohol 
EINECS 207-347-9 
3,3-Dimethylbutane-2-ol 
BRN 1718948 
DFOXKPDFWGNLJU-UHFFFAOYSA-N 
MFCD00004522 
2-Butanol, 3,3-dimethyl-, (S)- 
(S)-3,3-dimethyl-2-butanol 
HSDB 7711 
Pinacolone Alcohol 
AC1L1UDQ 
3,3-DIMETHYL-2-BUTANOL 
3,3-dimethyl 2-butanol 
ACMC-1AFR3 
AC1Q2BQ9 
2-Butanol,3,3-dimethyl- 
SCHEMBL22819 
4-01-00-01727 (Beilstein Handbook Reference) 
(CH3)3CCH(CH3)OH 
tert-BUTYL METHYLCARBINOL 
CHEMBL457417 
NSC939 
Pinacolyl alcohol 
CTK4I9361 
NSC-939 
3,3-Dimethyl-2-butanol, 98% 
7556AF 
SBB060164 
AKOS009157834 
MCULE-7642386536 
LS-46501 
Pinacolyl alcohol-tert-butyl methylcarbinol 
DB-070730 
464-07-3 
TC-170088 
D1511 
FT-0614071 
ST51046399 
I14-49479 
20281-91-8 
2-Butanol,3-dimethyl- 
Pinacolyl alcohol (6CI) 
UNII-5BV6T1107J 
C6H14O 
3,3-Dimethylbutan-2-ol 
2-butanol, 3,3-dimetil- 
5BV6T1107J 
C6-H14-O 
CID10045 
3,3-Dimethyl-2-butanol, 99% 10g 
Pinacolyl alcohol; ((tert-Butyl methyl carbinol) 
1517-67-5 
tert-Butyl methyl carbinol 
2-Butanol, 3,3-dimethyl- 
2,2-Dimethyl-3-butanol 
NSC 939 
Literature

Title: Dynamic multi-component covalent assembly for the reversible binding of secondary alcohols and chirality sensing.

Journal: Nature chemistry 20111201

Title: A novel gaseous pinacolyl alcohol sensor utilizing cataluminescence on alumina nanowires prepared by supercritical fluid drying.

Journal: Analytica chimica acta 20080623

Title: Substrate entropy in enzyme enantioselectivity: an experimental and molecular modeling study of a lipase.

Journal: Protein science : a publication of the Protein Society 20020601

Title: Enantioselectivity in Candida antarctica lipase B: a molecular dynamics study.

Journal: Protein science : a publication of the Protein Society 20010201

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