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100-84-5,MFCD00008395
Catalog No.:AA000053
Benzene, 1-methoxy-3-methyl- | 100-84-5
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000053
Chemical Name:
Benzene, 1-methoxy-3-methyl-
CAS Number:
100-84-5
Molecular Formula:
C8H10O
Molecular Weight:
122.1644
MDL Number:
MFCD00008395
IUPAC Name:
1-methoxy-3-methylbenzene
InChI:
InChI=1S/C8H10O/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3
InChI Key:
OSIGJGFTADMDOB-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C
EC Number:
202-893-4
UNII:
UI9I3Y6WTZ
NSC Number:
6255
Properties
Computed Properties
 
Complexity:
80.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.073g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.167g/mol
Monoisotopic Mass:
122.073g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Synonyms
 
3-methoxytoluene 
3-Methylanisole 
Methyl m-tolyl ether 
Methyl m-cresyl ether 
Anisole, m-methyl- 
3-Methylmethoxybenzene 
Methyl 3-methylphenyl ether 
1-Methyl-3-methoxybenzene 
1-Methoxy-3-methyl-benzene 
UNII-UI9I3Y6WTZ 
NSC 6255 
EINECS 202-893-4 
1-Methoxy-3-methylbenzene 
UI9I3Y6WTZ 
3-Methyl-1-methoxybenzene 
AI3-19476 
CHEMBL349791 
OSIGJGFTADMDOB-UHFFFAOYSA-N 
MFCD00008395 
3-methoxy-1-methylbenzene 
m-Methyl anisole 
3-methyl anisole 
Meta-Methylanisole 
100-84-5 
3-methoxy toluene 
3-Cresol methyl ether 
3-Methylanisole, 99% 
AC1L1OYY 
META METHOXYTOLUENE 
ACMC-1C3GF 
METHYL-M-TOLYL ETHER 
SCHEMBL12353 
Jsp000166 
DTXSID2051500 
3-Methoxytoluene 
SCHEMBL12015250 
CTK1A5099 
KS-00000EVT 
NSC6255 
LABOTEST-BB LTBB003020 
NSC-6255 
STR09347 
ZINC1693360 
7907AF 
ANW-14378 
m-Methylanisole 
BDBM50008537 
SBB061028 
AKOS000121157 
META-CRESOL DEUTEROMETHYL ETHER 
AS01016 
FR-1366 
MCULE-7649681864 
RP19469 
RTR-000255 
TRA0054603 
m-Cresol methyl ether 
AJ-30191 
CJ-06539 
CJ-28311 
LS-20215 
SC-22692 
DB-012728 
TR-000255 
FT-0628957 
M0151 
ST24038069 
Benzene, 1-methoxy-3-methyl- 
ST51047105 
A800280 
I01-5100 
W-108936 
F0001-0028 
InChI=1/C8H10O/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H 
3-methylanisol 
C8H10O 
CID7530 
C8-H10-O 
m-Cresyl methyl ether 
ACN-050501 
3-Methylanisole, 99% - 100G 100g 
20369-34-0 
M-METHOXYTOLUENE 
Literature

Title: Assessing the reactivity of free chlorine constituents Cl₂, Cl₂O, and HOCl toward aromatic ethers.

Journal: Environmental science & technology 20120221

Title: Chiral ammonium-capped rhodium(0) nanocatalysts: synthesis, characterization, and advances in asymmetric hydrogenation in neat water.

Journal: ChemSusChem 20120109

Title: Expedient Route to the functionalized calyciphylline A-type skeleton via a Michael addition-RCM strategy.

Journal: Organic letters 20111007

Title: Carbohydrate-derived 1,3-diphosphite ligands as chiral nanoparticle stabilizers: promising catalytic systems for asymmetric hydrogenation.

Journal: ChemSusChem 20090101

Title: Rotationally resolved electronic spectra of 2- and 3-methylanisole in the gas phase: a study of methyl group internal rotation.

Journal: The journal of physical chemistry. B 20061012

Title: Aza-cope rearrangement-mannich cyclizations for the formation of complex tricyclic amines: stereocontrolled total synthesis of (+/-)-gelsemine.

Journal: Journal of the American Chemical Society 20051228

Title: 2-Cyano-4-fluoro-1-thiovalylpyrrolidine analogues as potent inhibitors of DPP-IV.

Journal: Bioorganic & medicinal chemistry letters 20051201

Title: (Z)-2-(3-methoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one.

Journal: Acta crystallographica. Section C, Crystal structure communications 20051101

Title: Structural and magnetic evidence concerning spin crossover in formamidinate compounds with ru2 5+ cores.

Journal: Journal of the American Chemical Society 20050413

Title: Smooth muscle relaxant action of benzyl benzoates and salicylic acid derivatives from Brickellia veronicaefolia on isolated guinea-pig ileum.

Journal: Planta medica 20050401

Title: Meisenheimer complexes bonded at carbon and at oxygen.

Journal: Journal of the American Society for Mass Spectrometry 20040701

Title: Synthesis of 3-hexahelicenol and its transformation to 3-hexahelicenylamines, diphenylphosphine, methyl carboxylate, and dimethylthiocarbamate.

Journal: The Journal of organic chemistry 20030627

Title: Synthesis and selectin-binding activity of N-deacetylsialyl Lewis X ganglioside.

Journal: Carbohydrate research 20021119

Title: An experimental and computational evaluation of the energetics of the isomeric methoxyphenylcarbenes generated in carbon atom reactions.

Journal: Journal of the American Chemical Society 20020116

Title: QSAR analyses of the substituted indanone and benzylpiperidine rings of a series of indanone-benzylpiperidine inhibitors of acetylcholinesterase.

Journal: Journal of medicinal chemistry 19920207

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