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18217-12-4,MFCD00048661
Catalog No.:AA0023DB

18217-12-4 | 2-Heptanone, 5-methyl-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
97%
1 week  
$268.00   $188.00
- +
100mg
97%
1 week  
$425.00   $297.00
- +
250mg
97%
1 week  
$726.00   $508.00
- +
1g
97%
1 week  
$1,959.00   $1,371.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0023DB
Chemical Name:
2-Heptanone, 5-methyl-
CAS Number:
18217-12-4
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
MDL Number:
MFCD00048661
SMILES:
CCC(CCC(=O)C)C
Properties
Properties
 
Form:
Liquid  
MP:
-32.24℃ (estimate)  
Storage:
2-8℃;Keep in dry area;  

Computed Properties
 
Complexity:
86.6  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.4  

Downstream Synthesis Route

[1]Challenger;Holmes[JournaloftheChemicalSociety,1953,p.1837,1839]

[1]Sorm;Arient[CollectionofCzechoslovakChemicalCommunications,1950,vol.15,p.175,181]

[1]Rontani,J-F.;Giusti,G.[TetrahedronLetters,1988,vol.29,#16,p.1923-1926]

[1]Rontani,J-F.;Giusti,G.[TetrahedronLetters,1988,vol.29,#16,p.1923-1926]

[1]Rontani,J-F.;Giusti,G.[TetrahedronLetters,1988,vol.29,#16,p.1923-1926]

Literature

Title: Associations between phthalate metabolite urinary concentrations and body size measures in New York City children.

Journal: Environmental research 20120101

Title: Di-(2-ethylhexyl) phthalate and autism spectrum disorders.

Journal: ASN neuro 20120101

Title: Exposure to bisphenol A and other phenols in neonatal intensive care unit premature infants.

Journal: Environmental health perspectives 20090401

Title: Use of di(2-ethylhexyl) phthalate-containing medical products and urinary levels of mono(2-ethylhexyl) phthalate in neonatal intensive care unit infants.

Journal: Environmental health perspectives 20050901

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SDS
Tags:18217-12-4 Molecular Formula|18217-12-4 MDL|18217-12-4 SMILES|18217-12-4 2-Heptanone, 5-methyl-