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Name	12-Deoxy-phorbol-13-dodecenoate	EINECS	N/A
CAS No.	56530-48-4	Density	1.17g/cm³
PSA	N/A	LogP	N/A
Solubility	N/A	Melting Point	N/A
Formula	C₃₂H₄₉O₆	Boiling Point	651.3°Cat760mmHg
Molecular Weight	528.80	Flash Point	201.9°C
Transport Information	N/A	Appearance	N/A
Safety	A skin irritant requiring only very small amounts for effect. When heated to decomposition it emits acrid smoke and irritating fumes.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	N/A

12-Deoxy-phorbol-13-dodecenoate Chemical Properties

Product Name: 12-Deoxy-phorbol-13-dodecenoate (CAS NO.56530-48-4)

Molecular Formula: C₃₂H₄₉O₆
Molecular Weight: 528.80g/mol
Mol File: 56530-48-4.mol
Boiling point: 651.3 °C at 760 mmHg
Flash Point: 201.9 °C
Density: 1.17 g/cm³
Surface Tension: 51.2 dyne/cm
Enthalpy of Vaporization: 109.91 kJ/mol
Vapour Pressure: 1.02E-19 mmHg at 25°C
XLogP3-AA: 5.8
H-Bond Donor: 3
H-Bond Acceptor: 6
Structure Descriptors of 12-Deoxy-phorbol-13-dodecenoate (CAS NO.56530-48-4):
Canonical SMILES: CCCCCCCCCC=CC(=O)OC12CC(C3(C(C1C2(C)C)C=C(CC4(C3C=C(C4=O)C)O)CO)O)C
Isomeric SMILES: CCCCCCCCC/C=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/C32H48O6/c1-6-7-8-9-10-11-12-13-14-15-26(34)38-31-18-22(3)32(37)24(27(31)29(31,4)5)17-23(20-33)19-30(36)25(32)16-21(2)28(30)35/h14-17,22,24-25,27,33,36-37H,6-13,18-20H2,1-5H3/b15-14+/t22-,24+,25-,27-,30-,31+,32-/m1/s1
InChIKey: NLBCLBBAWOPSDZ-XXGJNKOPSA-N

12-Deoxy-phorbol-13-dodecenoate Toxicity Data With Reference

1.	skn-mus 42 ng open	ARTODN Archives of Toxicology. 44 (1980),279.
2.	skn-mus 30 ng/4H	APTOA6 Acta Pharmacologica et Toxicologica. 37 (1975),250.
3.	skn-mus 100 ng/24H	APTOA6 Acta Pharmacologica et Toxicologica. 37 (1975),250.

12-Deoxy-phorbol-13-dodecenoate Safety Profile

A skin irritant requiring only very small amounts for effect. When heated to decomposition it emits acrid smoke and irritating fumes.

12-Deoxy-phorbol-13-dodecenoate Specification

12-Deoxy-phorbol-13-dodecenoate , its CAS NO. is 56530-48-4, the synonym is 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-dodecenoate .

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