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37558-16-0

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Basic Information
CAS No.: 37558-16-0
Name: PHORBOL 12,13-DIBUTYRATE
Article Data: 4
Molecular Structure:
Molecular Structure of 37558-16-0 (PHORBOL 12,13-DIBUTYRATE)
Formula: C28H40 O8
Molecular Weight: 504.621
Synonyms: Butanoicacid,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]azulene-9,9a-diylester, [1aR-(1aa,1bb,4ab,7aa,7ba,8a,9b,9aa)]-; 9aH-Cyclopropa[3,4]benz[1,2-e]azulene,butanoic acid deriv.; 12,13-Di-O-butyrylphorbol; 4b-Phorbol 12,13-dibutyrate; PDBU; Phorbol12,13-dibutyrate; Phorbol dibutyrate
Density: 1.27g/cm3
Boiling Point: 623.4°Cat760mmHg
Flash Point: 199.3°C
Hazard Symbols:
Risk Codes: 36/37/38
Safety: Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 130.36000
LogP: 2.63210
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Chemistry

Product Name: Phorbol-12,13-dibutyrate
Synonyms of Phorbol-12,13-dibutyrate (CAS NO.37558-16-0): NSC 622507 ; Phorbol 12,13-dibutyrate ; Butanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-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)azulene-9,9a-diyl ester ; Butanoic acid, 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)azulene-9,9a-diyl ester, (1aR-(1a-alpha,1b-beta,4a-beta,7a-alpha,7b-alpha,8-alpha,9-beta,9a-alpha))-
CAS NO: 37558-16-0 
Molecular Formula: C28H40O8
Molecular Weight: 504.6124  
H bond acceptors: 8
H bond donors: 3
Freely Rotating Bonds: 12
Polar Surface Area: 97.36 Å2
Index of Refraction: 1.574
Molar Refractivity: 131.24 cm3
Molar Volume: 397.2 cm3
Surface Tension: 55.3 dyne/cm
Density: 1.27 g/cm3
Flash Point: 199.3 °C
Enthalpy of Vaporization: 105.85 kJ/mol
Boiling Point: 623.4 °C at 760 mmHg
Vapour Pressure: 3.72E-18 mmHg at 25°C
Molecular Structure:

Uses

 Phorbol-12,13-dibutyrate (CAS NO.37558-16-0) is widely used as a chemical reagent because of its solubility in water and other organic solvents. Phorbol 12,13-dibutyrate (CAS NO.37558-16-0) is a phorbol ester. It is one of the constituents of croton oil. . It is a weak tumor promoter compared to 12-O-Tetradecanoylphorbol-13-acetate that is used as an activator of protein kinase C.

Toxicity Data With Reference

1.    

dnd-mus-oth 100 nmol/L

     CNREA8    Cancer Research. 45 (1985),4864.

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36: Wear suitable protective clothing.
RIDADR: 2928
WGK Germany: 3
RTECS: EK7767000
F: 8-10
HazardClass: 6.1(a)
PackingGroup: II
Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.