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24928-17-4

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Basic Information
CAS No.: 24928-17-4
Name: PHORBOL 12,13-DIDECANOATE
Molecular Structure:
Molecular Structure of 24928-17-4 (PHORBOL 12,13-DIDECANOATE)
Formula: C40H64 O8
Molecular Weight: 663.95
Synonyms: Decanoicacid,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)]-;Decanoic acid, 9,9a-diesterwith 1,1aa,1bb,4,4a,7aa,7b,8,9,9a-decahydro-4ab,7ba,9b,9aa-tetrahydroxy-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,9b,9aa-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8a-tetramethyl-, 9,9a-didecanoate,(+)- (8CI);4b-Phorbol 12,13-didecanoate;4b-Phorbol didecanoate;Phorbol 12,13-dicaprinate;Phorbol 12,13-didecanoate;Phorbol dicaprate;Phorbol didecanoate;
Density: 1.14g/cm3
Boiling Point: 734.2°C at 760 mmHg
Flash Point: 212.4°C
Safety: A skin irritant. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. See also PHORBOL; PHORBOL ACETATE, LAURATE; PHORBOL-12,13-DIACETATE; PHORBOL-12,13-DIBENZOATE; PHORBOL-12,13-DIBUTYRATE; 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: 7.31330
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Chemistry

IUPAC Name: (2-hydroxy-2-phenylethyl)azanium chloride
Synonyms of Phorbol-12,13-didecanoate (CAS NO.24928-17-4): 4-alpha-Phorbol-12,13-didecanoate  4-beta-Phorbol didecanoate ; CCRIS 696 ; PDD ; Phorbol dicaprate ; Phorbol didecanoate ; 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-4a-alpha,7b-alpha,9-beta,9a-alpha-tetrahydroxy-3-hydroxymethyl-1,1,6,8-alpha-tetramethyl-, 9,9a-didecanoate ; Decanoic 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-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-
CAS NO: 24928-17-4 
Molecular Formula of Phorbol-12,13-didecanoate (CAS NO.24928-17-4): C40H64O8 
Molecular Weight: 672.9314   
H bond acceptors: 8
H bond donors: 3
Freely Rotating Bonds: 24
Polar Surface Area: 97.36Å2
Index of Refraction: 1.546
Molar Refractivity: 186.82 cm3
Molar Volume: 589.7 cm3
Surface Tension: 49.5 dyne/cm
Density: 1.14 g/cm3
Flash Point: 212.4 °C
Enthalpy of Vaporization: 122.32 kJ/mol
Boiling Point: 734.2 °C at 760 mmHg
Vapour Pressure: 6.92E-25 mmHg at 25°C
Molecular Structure: 

Toxicity Data With Reference

1.    

skn-mus 7 ng MLD

     CCSUDL    Carcinogenesis-A Comprehensive Survey 2 (1978),11.
2.    

dnd-esc 200 µg/tube

     CNREA8    Cancer Research. 33 (1973),3103.
3.    

cyt-smc 1 mg/L

     NATUAS    Nature. 294 (1981),263.
4.    

dns-rat:lvr 1 µg/L

     CNREA8    Cancer Research. 40 (1980),4541.
5.    

otr-ham:emb 100 µg/L

     CALEDQ    Cancer Letters (Shannon, Ireland). 17 (1982),1.

Safety Profile

Safety Statements of Phorbol-12,13-didecanoate (CAS NO.24928-17-4): 22-24/25
S22: Do not breathe dust.  
S24/25: Avoid contact with skin and eyes.
RIDADR: 2928
RTECS: GZ0653000
HazardClass: 6.1(a)
PackingGroup: II
A skin irritant. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. See also PHORBOL; PHORBOL ACETATE, LAURATE; PHORBOL-12,13-DIACETATE; PHORBOL-12,13-DIBENZOATE; PHORBOL-12,13-DIBUTYRATE; 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.