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4179-19-5,MFCD00015435
Catalog No.:AA003ILG
4179-19-5 | 3,5-Dimethoxytoluene
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1g
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$22.00   $15.00
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5g
98%
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$43.00   $30.00
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25g
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$83.00   $58.00
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003ILG
Chemical Name:
3,5-Dimethoxytoluene
CAS Number:
4179-19-5
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
MDL Number:
MFCD00015435
IUPAC Name:
1,3-dimethoxy-5-methylbenzene
InChI:
InChI=1S/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H3
InChI Key:
RIZBLVRXRWHLFA-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1)C
EC Number:
224-048-9
NSC Number:
72352
Properties
Computed Properties
 
Complexity:
102  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.084g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
3,5-dimethoxytoluene 
3,5-Dimethoxytoluene 
MFCD00015435 
RIZBLVRXRWHLFA-UHFFFAOYSA-N 
J-640285 
W-106295 
EINECS 224-048-9 
NSC 72352 
PubChem17775 
AI3-21137 
AC1L2TXQ 
ACMC-1AK5I 
4179-19-5 
AC1Q56CS 
SCHEMBL12501 
3,5-Dimethoxytoluene, 98% 
1,5-dimethoxy-3-methylbenzene 
1-Methyl-3,5-dimethoxybenzene 
2,4-dimethoxy-6-methylbenzene 
5-methyl-1,3-dimethoxybenzene 
Benzene,3-dimethoxy-5-methyl- 
DTXSID8063339 
CTK4I5252 
1,3-Dimethoxy-5-methylbenzene 
KS-00000WLL 
CHEBI:141217 
Benzene,1,3-dimethoxy-5-methyl- 
NSC72352 
ANW-29678 
FCH931566 
NSC-72352 
SBB059392 
ZINC12341538 
AKOS006222974 
Orcinol dimethyl ether 
FS-1194 
LS11630 
MCULE-4384993731 
TRA0076367 
VZ25825 
AJ-61170 
AN-18857 
CC-13608 
SC-16635 
U465 
5-Methylresorcinol dimethyl ether 
AX8082768 
DB-050807 
TC-118423 
D2526 
FT-0614651 
ST24036805 
ST50308659 
C-03074 
J-800284 
S01-0464 
Benzene, 1,3-dimethoxy-5-methyl- 
InChI=1/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H 
Toluene,5-dimethoxy- 
3,5 - dimethoxytoluene 
N-Propyl-1,3-propanediamine 
C9H12O2 
KST-1B4322 
ACN-S002042 
CID77844 
AR-1B6950 
C9-H12-O2 
Toluene, 3,5-dimethoxy- 
4483-62-9 
DMT 
1,3-dimethoxy-5-methyl-benzene 
3,5-dimethoxy toluene 
Literature

Title: Synthesis and biological evaluation of phenanthrenes as cytotoxic agents with pharmacophore modeling and ChemGPS-NP prediction as topo II inhibitors.

Journal: PloS one 20120101

Title: Genomic approach to study floral development genes in Rosa sp.

Journal: PloS one 20110101

Title: Synthesis, biological activity of salidroside and its analogues.

Journal: Chemical & pharmaceutical bulletin 20101201

Title: Does mycorrhization influence herbivore-induced volatile emission in Medicago truncatula?

Journal: Mycorrhiza 20100201

Title: Divergent chemical cues elicit seed collecting by ants in an obligate multi-species mutualism in lowland Amazonia.

Journal: PloS one 20100101

Title: Constituents of Asarum sieboldii with inhibitory activity on lipopolysaccharide (LPS)-induced NO production in BV-2 microglial cells.

Journal: Chemistry & biodiversity 20080201

Title: Role of petal-specific orcinol O-methyltransferases in the evolution of rose scent.

Journal: Plant physiology 20060101

Title: Quantitative structure-activity relationship by CoMFA for cyclic urea and nonpeptide-cyclic cyanoguanidine derivatives on wild type and mutant HIV-1 protease.

Journal: Journal of molecular modeling 20050301

Title: [Study on GC fingerprint of the constituents in Herba Asari].

Journal: Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20040501

Title: Regulation of plasma substance P and skin mast cells by odorants.

Journal: Journal of cutaneous medicine and surgery 20030101

Title: [Analysis of volatile constituents of root and rhizome of Asarum heterotropoides Fr. var. mandshuricum (Maxim.) Kitag. by gas chromatography-mass spectrometry].

Journal: Se pu = Chinese journal of chromatography 20020901

Title: O-methyltransferases involved in the biosynthesis of volatile phenolic derivatives in rose petals.

Journal: Plant physiology 20020801

Title: Biosynthesis of the major scent components 3,5-dimethoxytoluene and 1,3,5-trimethoxybenzene by novel rose O-methyltransferases.

Journal: FEBS letters 20020717

Title: Chiral hybrid metal-organic dendrimers.

Journal: Organic letters 20020627

Title: Iron complexes capped with dendrimer-appended triazacyclononanes as the novel spatially encumbered models of non-heme iron proteins.

Journal: Journal of the American Chemical Society 20020529

Title: Mitigation of stress-induced suppression of contact hypersensitivity by odorant inhalation.

Journal: The British journal of dermatology 20011101

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