Home Aldehydes 5973-71-7
5973-71-7,MFCD00016612
Catalog No.:AA003IFR
5973-71-7 | 3,4-Dimethylbenzaldehyde
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5g
98%
in stock  
$6.00   $4.00
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25g
98%
in stock  
$7.00   $5.00
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100g
98%
in stock  
$19.00   $13.00
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500g
98%
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IFR
Chemical Name:
3,4-Dimethylbenzaldehyde
CAS Number:
5973-71-7
Molecular Formula:
C9H10O
Molecular Weight:
134.1751
MDL Number:
MFCD00016612
IUPAC Name:
3,4-dimethylbenzaldehyde
InChI:
InChI=1S/C9H10O/c1-7-3-4-9(6-10)5-8(7)2/h3-6H,1-2H3
InChI Key:
POQJHLBMLVTHAU-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)C)C
EC Number:
227-770-2
UNII:
16G1J12ARB
Properties
Computed Properties
 
Complexity:
120  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.073g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.178g/mol
Monoisotopic Mass:
134.073g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Synonyms
 
2,5-dimethylbenzaldehyde 
3,4-dimethylbenzaldehyde 
3,4-DiMethyl-Benzaldehyde 
16G1J12ARB 
3 pound not4-dimethylbenzaldehyde 
POQJHLBMLVTHAU-UHFFFAOYSA-N 
3,4-Dimethylbenzaldehyde, 97% 
EINECS 227-770-2 
PubChem2535 
AC1Q2DUS 
AC1Q2DUT 
3,4 dimethyl benzaldehyde 
DMB-aldehyde 
3,4-di-methylbenzaldehyde 
3,4-Dimethyl benzaldehyde 
EC 227-770-2 
DSSTox_CID_21626 
DSSTox_RID_79794 
DSSTox_GSID_41626 
SCHEMBL98097 
KSC269I6L 
AC1L2K35 
ACMC-1B116 
3,4-DIMETHYLBENZALDEHYDE 
CHEMBL3187739 
DTXSID2041626 
3,4-Dimethylbenzaldehyde, 98% 
CTK1G9465 
KS-00000NDS 
POQJHLBMLVTHAU-UHFFFAOYSA- 
DIMETHYLBENZALDEHYDE,3,4- 
ACT00755 
BCP24427 
ZINC2146875 
5973-71-7 
Tox21_301638 
ANW-33331 
RW2390 
SBB063355 
STL185667 
AKOS009075842 
AC-3245 
AS05590 
CM11941 
LS11363 
Benzaldehyde, 3,4-dimethyl- 
MCULE-4139700449 
PS-4693 
RP20144 
TRA0011346 
NCGC00255646-01 
AC-15539 
AJ-33615 
AK-88497 
AN-13134 
CJ-07781 
UNII-16G1J12ARB 
CJ-33022 
SC-05614 
SY004808 
CAS-5973-71-7 
AB1000228 
DB-024155 
RT-001870 
ST2404599 
D3334 
FT-0614367 
MFCD00016612 
ST51038484 
EN300-22064 
Z-3864 
MFCD00016612 (97+%) 
973D717 
A832442 
I01-1391 
Q-200344 
InChI=1/C9H10O/c1-7-3-4-9(6-10)5-8(7)2/h3-6H,1-2H3 
null 
4-Formyl-o-xylene 
DMB-aldehyde 
3,4-dimethoxypyridine 
Ambap4839 
C9H10O 
Aldehyde dimethyl-3,4-benzoique 
C9-H10-O 
CID22278 
H192 
3,4-Dimethylbenzaldehyde, 99% - 25G 25g 
C476925 
o-Xylene-4-carboxaldehyde 
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: Crystallinity enhancement of Nafion electrolyte membranes assisted by a molecular gelator.

Journal: Langmuir : the ACS journal of surfaces and colloids 20110802

Title: (E)-1-(3,4-Dimethyl-benzyl-idene)-2,2-diphenyl-hydrazine.

Journal: Acta crystallographica. Section E, Structure reports online 20110601

Title: 5-(3,4-Dimethyl-benzyl-idene)-2,2-dimethyl-1,3-dioxane-4,6-dione.

Journal: Acta crystallographica. Section E, Structure reports online 20110601

Title: 1-(3,4-Dimethyl-benzyl-idene)-4-ethyl-thio-semicarbazide.

Journal: Acta crystallographica. Section E, Structure reports online 20101001

Title: 1-(4-Chloro-phen-yl)-3-(3,4-dimethyl-phen-yl)prop-2-en-1-one.

Journal: Acta crystallographica. Section E, Structure reports online 20100901

Title: N'-(3,4-Dimethyl-benzyl-idene)furan-2-carbohydrazide.

Journal: Acta crystallographica. Section E, Structure reports online 20100801

Title: 1-(4-Bromo-phen-yl)-3-(3,4-dimethyl-phen-yl)prop-2-en-1-one.

Journal: Acta crystallographica. Section E, Structure reports online 20100601

Title: Floral visitation and reproductive traits of Stamenoid petals, a naturally occurring floral homeotic variant of Capsella bursa-pastoris (Brassicaceae).

Journal: Planta 20091101

Title: Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 3,4-dimethylbenzaldehyde.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20071101

Title: Chemical biotechnology for the specific oxyfunctionalization of hydrocarbons on a technical scale.

Journal: Biotechnology and bioengineering 20030630

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

Journal: Biotechnology and bioengineering 20030320

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