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25405-85-0

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Basic Information
CAS No.: 25405-85-0
Name: PHORBOL 12,13-DIBENZOATE
Article Data: 2
Molecular Structure:
Molecular Structure of 25405-85-0 (PHORBOL 12,13-DIBENZOATE)
Formula: C34H36 O8
Molecular Weight: 572.655
Synonyms: 5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one,1,1aa,1bb,4,4a,7aa,7b,8,9,9a-decahydro-4ab,7ba,9b,9aa-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8a-tetramethyl-, 9,9a-dibenzoate, (+)- (8CI);5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one, 9,9a-bis(benzoyloxy)-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-,[1aR-(1aa,1bb,4ab,7aa,7ba,8a,9b,9aa)]-; 4b-Phorbol 12,13-dibenzoate; NSC 262643; PDB; Phorbol 12,13-dibenzoate
Density: 1.37g/cm3
Boiling Point: 725.7°Cat760mmHg
Flash Point: 231.2°C
Safety: Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also PHORBOL; PHORBOL ACETATE, LAURATE; PHORBOL-12,13-DIACETATE; PHORBOL-12,13-DIBUTYRATE; PHORBOL-12,13-DIDECANOATE; PHORBOL-12,13-DIHEXA(Δ-2,4)-DIENOATE; PHORBOL-12,13-DIHEXANOATE; PHORBOL 12,13-DIMYRISTATE; PHORBOL LAURATE, (+)-S-2-METHYL-BUTYRATE; PHORBOL MONOACETATE MONOLAURATE; PHORBOL MONODECANOATE (S)-(+)-MONO(2-METHYLBUTYRATE); (E)-PHORBOL MONODECANOATE MONO(2-METHYLCROTONATE); PHORBOL MYRISTATE ACETATE; PHORBOL-9-MYRISTATE-9a-ACETATE-3-ALDEHYDE; PHORBOLOL MYRISTATE ACETATE; PHORBOL-12-o-TIGLYL-13-BUTYRATE; PHORBOL-12-o-TIGLYL-13-DODECANOATE.
PSA: 130.36000
LogP: 3.65950
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    5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one,9,9a-bis(benzoyloxy)-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-,(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)- Application:Organic Chemicals

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Chemistry

Product Name: Phorbol-12,13-dibenzoate
Synonyms of Phorbol-12,13-dibenzoate (CAS NO.25405-85-0): 9,9a-Bis(benzoyloxy)-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))- ; CCRIS 695 ; NSC 262643 ; PDB ; PHORBOL 12,13-DIBENZOATE ;   5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-9,9a-bis(benzoyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, (1aR-(1a-alpha,4b-beta,4a-beta,7a-alpha,7b-alpha,8-alpha,9-beta,9a-alpha)) ; 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 9,9a-bis(benzoyloxy)-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))- (9CI) ;
CAS NO: 25405-85-0 
Molecular Formula of Phorbol-12,13-dibenzoate (CAS NO.25405-85-0): C34H36O8 
Molecular Weight: 572.6448  
H bond acceptors: 8
H bond donors: 3
Freely Rotating Bonds: 10
Polar Surface Area: 97.36 Å2
Index of Refraction: 1.653
Molar Refractivity: 152.89 cm3
Molar Volume: 417.2 cm3
Surface Tension: 66.3 dyne/cm
Density of Phorbol-12,13-dibenzoate (CAS NO.25405-85-0): 1.37 g/cm3
Flash Point: 231.2 °C
Enthalpy of Vaporization: 111.24 kJ/mol
Boiling Point: 725.7 °C at 760 mmHg
Vapour Pressure: 4.15E-22 mmHg at 25°C
Molecular Structure: 

Safety Profile

Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also PHORBOL; PHORBOL ACETATE, LAURATE; PHORBOL-12,13-DIACETATE; PHORBOL-12,13-DIBUTYRATE; PHORBOL-12,13-DIDECANOATE; PHORBOL-12,13-DIHEXA(Δ-2,4)-DIENOATE; PHORBOL-12,13-DIHEXANOATE; PHORBOL 12,13-DIMYRISTATE; PHORBOL LAURATE, (+)-S-2-METHYL-BUTYRATE; PHORBOL MONOACETATE MONOLAURATE; PHORBOL MONODECANOATE (S)-(+)-MONO(2-METHYLBUTYRATE); (E)-PHORBOL MONODECANOATE MONO(2-METHYLCROTONATE); PHORBOL MYRISTATE ACETATE; PHORBOL-9-MYRISTATE-9a-ACETATE-3-ALDEHYDE; PHORBOLOL MYRISTATE ACETATE; PHORBOL-12-o-TIGLYL-13-BUTYRATE; PHORBOL-12-o-TIGLYL-13-DODECANOATE.