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6846-50-0,MFCD00059267
Catalog No.:AA003F5H

6846-50-0 | 2,2,4-Trimethylpentane-1,3-diyl bis(2-methylpropanoate)

Pack Size
Purity
Availability
Price(USD)
Quantity
  
25g
98.5%
in stock  
$6.00   $4.00
- +
100g
98.5%
in stock  
$7.00   $5.00
- +
500g
98.5%
in stock  
$16.00   $11.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003F5H
Chemical Name:
2,2,4-Trimethylpentane-1,3-diyl bis(2-methylpropanoate)
CAS Number:
6846-50-0
Molecular Formula:
C16H30O4
Molecular Weight:
286.4070
MDL Number:
MFCD00059267
SMILES:
CC(C(=O)OCC(C(C(C)C)OC(=O)C(C)C)(C)C)C
Properties
Properties
 
BP:
280°C at 760 mmHg  
Form:
Liquid  
MP:
-70°C  
Refractive Index:
n20/D 1.434(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
329  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
9  
Undefined Atom Stereocenter Count:
1  
XLogP3:
4.7  

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: Analysis of volatile organic compounds released from human lung cancer cells and from the urine of tumor-bearing mice.

Journal: Cancer cell international 20120101

Title: Volatile organic compounds enhance allergic airway inflammation in an experimental mouse model.

Journal: PloS one 20120101

Title: Analysis of phthalic acid diesters, monoester, and other plasticizers in polyvinyl chloride household products in Japan.

Journal: Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering 20110101

Title: Formaldehyde and other volatile organic chemical emissions in four FEMA temporary housing units.

Journal: Environmental science & technology 20090801

Title: Occurrence of 2,2,4-trimethyl-1,3-pentanediol monoisobutyrate (Texanol) in foods packed in polystyrene and polypropylene cups.

Journal: Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment 20090401

Title: Noninvasive detection of lung cancer by analysis of exhaled breath.

Journal: BMC cancer 20090101

Title: Odor and chemesthesis from brief exposures to TXIB.

Journal: Indoor air 20051201

Title: The anthropogenic contribution to the organic load of the Lippe River (Germany). Part I: Qualitative characterisation of low-molecular weight organic compounds.

Journal: Chemosphere 20041201

Title: Lack of sensitization for trimellitate, phthalate, terephthalate and isobutyrate plasticizers in a human repeated insult patch test.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20030401

Title: [Identification of migrants from nitrile-butadiene rubber gloves].

Journal: Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan 20030401

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SDS
Tags:6846-50-0 Molecular Formula|6846-50-0 MDL|6846-50-0 SMILES|6846-50-0 2,2,4-Trimethylpentane-1,3-diyl bis(2-methylpropanoate) |Organic_Building_Blocks