Product Name

  • Name

    (1aR,1bS,4aR,7aS,7bR,8R,9aS)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl 2-methylbutanoate

  • EINECS
  • CAS No. 28152-97-8
  • Density 1.24g/cm3
  • Solubility
  • Melting Point
  • Formula C25H36 O6
  • Boiling Point 574.8°Cat760mmHg
  • Molecular Weight 432.61
  • Flash Point 189.7°C
  • Transport Information
  • Appearance
  • Safety A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
  • Risk Codes
  • Molecular Structure Molecular Structure of 28152-97-8 ((1aR,1bS,4aR,7aS,7bR,8R,9aS)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl 2-methylbutanoate)
  • Hazard Symbols
  • Synonyms Butanoicacid, 2-methyl-,1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-ylester, [1aR-(1aa,1bb,4ab,7aa,7ba,8a,9aa)]- (9CI); Butyric acid, 2-methyl-, 9a-ester with 1,1aa,1bb,4,4a,7aa,7b,8,9,9a-decahydro-4ab,7ba,9aa-trihydroxy-3-(hydroxymethyl)-1,1,6,8a-tetramethyl-5H-cyclopropa[3,4]benz[1,2-e]azulen-5-one(8CI); 5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one, 1,1aa,1bb,4,4a,7aa,7b,8,9,9a-decahydro-4ab,7ba,9aa-trihydroxy-3-(hydroxymethyl)-1,1,6,8a-tetramethyl-,9a-(2-methylbutyrate) (8CI); 9aH-Cyclopropa[3,4]benz[1,2-e]azulene, butanoicacid deriv.; 12-Deoxyphorbol 13-(2-methylbutyrate)
  • PSA 104.06000
  • LogP 2.55630

12-Deoxyphorbol-13alpha-methylbutyrate Chemical Properties

Chemistry informtion about 12-Deoxyphorbol-13alpha-methylbutyrate(CAS NO.28152-97-8) is:
Synonyms: 12-Deoxy-phorbol-13-alpha-methylbutyrate ; 12-Deoxyphorbol-13-(2-methylbutyrate) 
Systematic Name: 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-alpha,1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-3-(hydroxymethyl)-
1,1,6,8-alpha-tetramethyl-4a-beta,7b-alpha,9a-alpha-trihydroxy-, 9a-(2-methylbutyrate) 
Molecular Weight: 432.54974 [g/mol]
Molecular Formula: C25H36O6
XLogP3-AA: 2.1
H-Bond Donor: 3
H-Bond Acceptor: 6
Density: 1.24 g/cm3
Flash Point: 189.7 °C
Enthalpy of Vaporization: 98.89 kJ/mol
Boiling Point: 574.8 °C at 760 mmHg
Vapour Pressure: 1.32E-15 mmHg at 25°C
Following is the molecular structure of 12-Deoxyphorbol-13alpha-methylbutyrate(CAS NO.28152-97-8) is:

12-Deoxyphorbol-13alpha-methylbutyrate Toxicity Data With Reference

1.    

skn-mus 400 ng/4H

     APTOA6    Acta Pharmacologica et Toxicologica. 37 (1975),250.
2.    

skn-mus 1600 ng/24H

     APTOA6    Acta Pharmacologica et Toxicologica. 37 (1975),250.

12-Deoxyphorbol-13alpha-methylbutyrate Safety Profile

A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.

12-Deoxyphorbol-13alpha-methylbutyrate Specification

Descriptors Computed from Structure about 12-Deoxyphorbol-13alpha-methylbutyrate(CAS NO.28152-97-8) is:
Canonical SMILES: CCC(C)C(=O)OC12CC(C3(C(C1C2(C)C)C=C(CC4(C3C=C(C4=O)C)O)CO)O)C
Isomeric SMILES: CCC(C)C(=O)O[C@@]12C[C@H]([C@]3([C@H]([C@@H]1C2(C)C)C=C(C[C@]4([C@H]3C=C(C4=O)C)O)CO)O)C
InChI: InChI=1S/C25H36O6/c1-7-13(2)21(28)31-24-10-15(4)25(30)17(19(24)22(24,5)6)9-16(12-26)11-23(29)18(25)8-14(3)20(23)27/h8-9,13,15,17-19,26,29-30H,7,10-12H2,1-6H3/t13?,15-,17+,18-,19-,23-,24+,25-/m1/s1
InChIKey: UTWPUNYNNNYPEZ-ABNKIXKLSA-N

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View