611-14-3,MFCD00009257
Catalog No.:AA003H5H

611-14-3 | 1-Ethyl-2-methylbenzene

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$13.00   $9.00
- +
5g
98%
in stock  
$29.00   $20.00
- +
25g
98%
in stock  
$46.00   $32.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003H5H
Chemical Name:
1-Ethyl-2-methylbenzene
CAS Number:
611-14-3
Molecular Formula:
C9H12
Molecular Weight:
120.1916
MDL Number:
MFCD00009257
SMILES:
CCc1ccccc1C
NSC Number:
405731
Properties
Properties
 
BP:
164-165°C at 760 mmHg  
Form:
Liquid  
MP:
-17 °C  
Refractive Index:
n20/D 1.505(lit.)  
Solubility:
74.6mg/l (experimental)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
76.1  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
0  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.5  

Literature

Title: Thermochemical data and additivity group values for ten species of o-xylene low-temperature oxidation mechanism.

Journal: The journal of physical chemistry. A 20120112

Title: Comparing the effects of weathering and microbial degradation on gasoline using principal components analysis.

Journal: Journal of forensic sciences 20120101

Title: Revolving hollow fiber-liquid phase microextraction coupled to GC/MS using electron ionization for quantification of five aromatic hydrocarbon isomers.

Journal: Journal of separation science 20090901

Title: Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.

Journal: Journal of molecular graphics & modelling 20061101

Title: DNA damage in outdoor workers occupationally exposed to environmental air pollutants.

Journal: Occupational and environmental medicine 20060401

Title: Influence of ethanol-gasoline blended fuel on emission characteristics from a four-stroke motorcycle engine.

Journal: Journal of hazardous materials 20050831

Title: Decoys for docking.

Journal: Journal of medicinal chemistry 20050602

Title: In situ biodegradation determined by carbon isotope fractionation of aromatic hydrocarbons in an anaerobic landfill leachate plume (Vejen, Denmark).

Journal: Journal of contaminant hydrology 20030601

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SDS
Tags:611-14-3 Molecular Formula|611-14-3 MDL|611-14-3 SMILES|611-14-3 1-Ethyl-2-methylbenzene
Catalog No.: AA003H5H
611-14-3,MFCD00009257
611-14-3 | 1-Ethyl-2-methylbenzene
Pack Size: 1g
Purity: 98%
in stock
$13.00 $9.00
Pack Size: 5g
Purity: 98%
in stock
$29.00 $20.00
Pack Size: 25g
Purity: 98%
in stock
$46.00 $32.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA003H5H
Chemical Name: 1-Ethyl-2-methylbenzene
CAS Number: 611-14-3
Molecular Formula: C9H12
Molecular Weight: 120.1916
MDL Number: MFCD00009257
SMILES: CCc1ccccc1C
NSC Number: 405731
Properties
BP: 164-165°C at 760 mmHg  
Form: Liquid  
MP: -17 °C  
Refractive Index: n20/D 1.505(lit.)  
Solubility: 74.6mg/l (experimental)  
Storage: Keep in dry area;Room Temperature;  
Complexity: 76.1  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 9  
Hydrogen Bond Acceptor Count: 0  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.5  
Literature fold

Title: Thermochemical data and additivity group values for ten species of o-xylene low-temperature oxidation mechanism.

Journal: The journal of physical chemistry. A20120112

Title: Comparing the effects of weathering and microbial degradation on gasoline using principal components analysis.

Journal: Journal of forensic sciences20120101

Title: Revolving hollow fiber-liquid phase microextraction coupled to GC/MS using electron ionization for quantification of five aromatic hydrocarbon isomers.

Journal: Journal of separation science20090901

Title: Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.

Journal: Journal of molecular graphics & modelling20061101

Title: DNA damage in outdoor workers occupationally exposed to environmental air pollutants.

Journal: Occupational and environmental medicine20060401

Title: Influence of ethanol-gasoline blended fuel on emission characteristics from a four-stroke motorcycle engine.

Journal: Journal of hazardous materials20050831

Title: Decoys for docking.

Journal: Journal of medicinal chemistry20050602

Title: In situ biodegradation determined by carbon isotope fractionation of aromatic hydrocarbons in an anaerobic landfill leachate plume (Vejen, Denmark).

Journal: Journal of contaminant hydrology20030601

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