CAS No.76423-68-2,PHORBOL-12-DECANOATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	76423-68-2
Name:	PHORBOL-12-DECANOATE

Formula:	C₃₀H₄₆O₇
Molecular Weight:	518.68
Synonyms:	(1aR,1bS,4aR,7aS,7bR,8R,9R,9aS)-4a,7b,9a-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl decanoate;
Density:	1.22 g/cm³
Boiling Point:	649.2 °C at 760 mmHg
Flash Point:	204.3 °C
Hazard Symbols:	T+
Risk Codes:	26/27/28-36/37/38
Safety:	26-27-36/37/39-45
PSA:	124.29000
LogP:	3.62170

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Specification

The Decanoic acid, (1aR,1bS,4aR,7aS,7bR,8R,9R,9aS)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b,9a-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, with the CAS registry number 76423-68-2, is a kind of liquid. And the molecular formula of the chemical is C₃₀H₄₆O₇. What's more, it should be stored at -20°C.

The characteristics of Decanoic acid, (1aR,1bS,4aR,7aS,7bR,8R,9R,9aS)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b,9a-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester are as followings: (1)ACD/LogP: 4.74; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.74; (4)ACD/LogD (pH 7.4): 4.74; (5)ACD/BCF (pH 5.5): 2354.94; (6)ACD/BCF (pH 7.4): 2354.65; (7)ACD/KOC (pH 5.5): 9021.1; (8)ACD/KOC (pH 7.4): 9019.97; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 80.29 Å²; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 140.19 cm³; (15)Molar Volume: 423.8 cm³; (16)Polarizability: 55.57×10^-24cm³; (17)Surface Tension: 55.1 dyne/cm; (18)Density: 1.22 g/cm³; (19)Flash Point: 204.3 °C; (20)Enthalpy of Vaporization: 109.6 kJ/mol; (21)Boiling Point: 649.2 °C at 760 mmHg; (22)Vapour Pressure: 1.35E-19 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is very toxic by inhalation, in contact with skin and if swallowed, and it also irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Take off immediately all contaminated clothing; Wear suitable protective clothing, gloves and eye/face protection; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O[C@H]2[C@]4(O)[C@H]([C@@H]1/C=C(/CO)C[C@]3(O)C(=O)\C(=C/[C@H]3[C@]1(O)[C@@H]2C)C)C4(C)C)CCCCCCCCC
(2)InChI: InChI=1/C30H46O7/c1-6-7-8-9-10-11-12-13-23(32)37-26-19(3)29(35)21(24-27(4,5)30(24,26)36)15-20(17-31)16-28(34)22(29)14-18(2)25(28)33/h14-15,19,21-22,24,26,31,34-36H,6-13,16-17H2,1-5H3/t19-,21+,22-,24-,26-,28-,29+,30-/m1/s1
(3)InChIKey: LXYSVTVLQYLWKR-NHUQUWQTBX