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4812-20-8,MFCD00002184
Catalog No.:AA003HEO

4812-20-8 | 2-Isopropoxyphenol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$18.00   $13.00
- +
5g
97%
in stock  
$22.00   $15.00
- +
25g
95%
in stock  
$96.00   $67.00
- +
100g
97%
in stock  
$272.00   $190.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003HEO
Chemical Name:
2-Isopropoxyphenol
CAS Number:
4812-20-8
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
MDL Number:
MFCD00002184
SMILES:
CC(Oc1ccccc1O)C
Properties
Properties
 
BP:
219.7°C at 760 mmHg  
Form:
Liquid  
Refractive Index:
n20/D 1.514(lit.)  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
112  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.1  

Upstream Synthesis Route

[1]Patent:US5066819,1991,A,

[2]Patent:EP446514,1991,A1,

[1]Synthesis,2008,#10,p.1612-1618

Downstream Synthesis Route

[1]Testaferri,L.;Tiecco,M.;Tingoli,M.;Chianelli,D.;Montanucci,M.[Tetrahedron,1982,vol.38,#24,p.3687-3692]

[2]Testaferri,L.;Tiecco,M.;Tingoli,M.;Chianelli,D.;Montanucci,M.[Tetrahedron,1982,vol.38,#24,p.3687-3692]

[3]Birch[JournaloftheChemicalSociety,1947,p.102,104]

[1]Walsh,DavidA.;Franzyshen,StephenK.;Yanni,JohnM.[JournalofMedicinalChemistry,1989,vol.32,#1,p.105-118]

[2]CurrentPatentAssignee:PFIZERINC-US4950674,1990,A

[1]Ishikawa,Tsutomu;Mizutani,Akiko;Miwa,Chizue;Oku,Yumie;Komano,Naoko;Takami,Atsuya;Watanabe,Toshiko[Heterocycles,1997,vol.45,#11,p.2261-2272]

[1]Ishikawa,Tsutomu;Mizutani,Akiko;Miwa,Chizue;Oku,Yumie;Komano,Naoko;Takami,Atsuya;Watanabe,Toshiko[Heterocycles,1997,vol.45,#11,p.2261-2272]

[1]Deodhar,V.B.;Dalavoy,V.S.;Nayak,U.R.[OrganicPreparationsandProceduresInternational,1991,vol.23,#6,p.753-754]

Literature

Title: An intervention to reduce residential insecticide exposure during pregnancy among an inner-city cohort.

Journal: Environmental health perspectives 20061101

Title: Lessons learned for the assessment of children's pesticide exposure: critical sampling and analytical issues for future studies.

Journal: Environmental health perspectives 20051001

Title: Simple liquid chromatographic method for the rapid and simultaneous determination of propoxur and its major metabolite isopropoxy phenol in rat blood and urine using solid-phase extraction.

Journal: Journal of analytical toxicology 20051001

Title: Structural toxicity relationship of 4-alkoxyphenols' cytotoxicity towards murine B16-F0 melanoma cell line.

Journal: Journal of pharmacy & pharmaceutical sciences : a publication of the Canadian Society for Pharmaceutical Sciences, Societe canadienne des sciences pharmaceutiques 20050818

Title: Quantification of phenolic metabolites of environmental chemicals in human urine using gas chromatography-tandem mass spectrometry and isotope dilution quantification.

Journal: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20050625

Title: Prenatal insecticide exposures and birth weight and length among an urban minority cohort.

Journal: Environmental health perspectives 20040701

Title: Stability studies of propoxur herbicide in environmental water samples by liquid chromatography-atmospheric pressure chemical ionization ion-trap mass spectrometry.

Journal: Journal of chromatography. A 20031003

Title: Contemporary-use pesticides in personal air samples during pregnancy and blood samples at delivery among urban minority mothers and newborns.

Journal: Environmental health perspectives 20030501

Title: Structure--activity relationships among novel phenoxybenzamine-related beta-chloroethylamines.

Journal: Bioorganic & medicinal chemistry 20020501

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SDS
Tags:4812-20-8 Molecular Formula|4812-20-8 MDL|4812-20-8 SMILES|4812-20-8 2-Isopropoxyphenol