24539-57-9,MFCD00517703
Catalog No.:AA002OE0

24539-57-9 | Monohexyl phthalate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$123.00   $86.00
- +
5g
98%
in stock  
$393.00 $275.00
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002OE0
Chemical Name:
Monohexyl phthalate
CAS Number:
24539-57-9
Molecular Formula:
C14H17O4-
Molecular Weight:
249.2824
MDL Number:
MFCD00517703
SMILES:
CCCCCCOC(=O)c1ccccc1C(=O)[O-]
Properties
Properties
 
Form:
Solid  

Computed Properties
 
Complexity:
275  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
8  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.2  

Literature

Title: Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor α, β, γ subtypes: an in silico approach.

Journal: Journal of applied toxicology : JAT 20140701

Title: Simultaneous determination of phthalate di- and monoesters in poly(vinylchloride) products and human saliva by gas chromatography-mass spectrometry.

Journal: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20021115

Title: [Determination of monoester metabolites of butylbenzyl phthalate (BBP) by GC-MS in the urine of exposed workers].

Journal: Acta clinica Belgica 20020101

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SDS
Tags:24539-57-9 Molecular Formula|24539-57-9 MDL|24539-57-9 SMILES|24539-57-9 Monohexyl phthalate
Catalog No.: AA002OE0
24539-57-9,MFCD00517703
24539-57-9 | Monohexyl phthalate
Pack Size: 1g
Purity: 98%
in stock
$123.00 $86.00
Pack Size: 5g
Purity: 98%
in stock
$393.00 $275.00
Quantity
- +
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Technical Information
Catalog Number: AA002OE0
Chemical Name: Monohexyl phthalate
CAS Number: 24539-57-9
Molecular Formula: C14H17O4-
Molecular Weight: 249.2824
MDL Number: MFCD00517703
SMILES: CCCCCCOC(=O)c1ccccc1C(=O)[O-]
Properties
Form: Solid  
Complexity: 275  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 8  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.2  
Literature fold

Title: Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor α, β, γ subtypes: an in silico approach.

Journal: Journal of applied toxicology : JAT20140701

Title: Simultaneous determination of phthalate di- and monoesters in poly(vinylchloride) products and human saliva by gas chromatography-mass spectrometry.

Journal: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences20021115

Title: [Determination of monoester metabolites of butylbenzyl phthalate (BBP) by GC-MS in the urine of exposed workers].

Journal: Acta clinica Belgica20020101

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