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6966-10-5,MFCD00004647
Catalog No.:AA003IFV
6966-10-5 | 3,4-Dimethylbenzyl alcohol
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$15.00   $10.00
- +
5g
>97%
in stock  
$64.00   $45.00
- +
10g
98%
in stock  
$100.00   $70.00
- +
25g
98%
in stock  
$200.00   $140.00
- +
100g
98%
in stock  
$604.00   $423.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IFV
Chemical Name:
3,4-Dimethylbenzyl alcohol
CAS Number:
6966-10-5
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
MDL Number:
MFCD00004647
IUPAC Name:
(3,4-dimethylphenyl)methanol
InChI:
InChI=1S/C9H12O/c1-7-3-4-9(6-10)5-8(7)2/h3-5,10H,6H2,1-2H3
InChI Key:
OKGZCXPDJKKZAP-UHFFFAOYSA-N
SMILES:
OCc1ccc(c(c1)C)C
EC Number:
230-175-0
NSC Number:
18728
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
 
3,4-DIMETHYLBENZYL ALCOHOL 
6966-10-5 
ACMC-1B6QP 
3,4-Dimethylbenzyl alcoho 
3,4 dimethylbenzyl alcohol 
AC1L2MA7 
AC1Q2DV3 
4-(Hydroxymethyl)-o-xylene 
SCHEMBL93048 
Benzenemethanol,3,4-dimethyl- 
(3,4-Dimethylphenyl)methanol # 
CTK5D0797 
(3,4-Dimethylphenyl)methanol 
DTXSID60219954 
3,4-Dimethylbenzyl alcohol, 99% 
(3,4-dimethylphenyl)methyl alcohol 
ACT13310 
KS-000008WL 
ZINC1561828 
EINECS 230-175-0 
NSC-18728 
SBB063329 
AKOS009156942 
Benzenemethanol, 3,4-dimethyl- 
AC-7308 
AN-9122 
AS00594 
MCULE-6163938430 
TRA0040828 
AJ-27061 
AK-79908 
BP-11487 
CJ-24547 
SC-06340 
OKGZCXPDJKKZAP-UHFFFAOYSA-N 
SY005661 
AI3-21300 
DB-021939 
TC-172959 
CS-0044039 
FT-0636317 
ST24034207 
ST51038031 
A22394 
Z-3937 
MFCD00004647 
MFCD00004647 (97+%) 
966D105 
I01-1319 
W-104610 
3,4-dimethyl-Benzenemethanol;Benzenemethanol, 3,4-dimethyl- 
InChI=1/C9H12O/c1-7-3-4-9(6-10)5-8(7)2/h3-5,10H,6H2,1-2H 
3, 4-Dimethylbenzyl alcohol 
C9H12O 
CID23407 
ACN-036170 
(3,4-dimethylphenyl)methan-1-ol 
3,4-Dimethylbenzyl alcohol, 95% - 1G 1g 
1020719-55-4 
3,4-dimethylbenzylalcohol 
NSC18728 
PubChem2161 
Literature

Title: Use of the two-liquid phase concept to exploit kinetically controlled multistep biocatalysis.

Journal: Biotechnology and bioengineering 20030320

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