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| CAS No.: | 1400-62-0 |
|---|---|
| Name: | Orcein |
| Molecular Structure: | |
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| Formula: | Unspecified |
| Molecular Weight: | 500.51 |
| Synonyms: | NATURAL RED 28;ORCEIN;ORCEIN, NATURAL;ORCEIN STAINING;ORCEIN SYNTHETIC;Orceinforanalysis;ORCEIN, SYNTHETIC, CERTIFIED;Trifloxysulfuron Sodium Salt, Pestanal |
| EINECS: | 215-750-6 |
| Density: | 1.56g/cm3 |
| Boiling Point: | 779°C at 760 mmHg |
| Flash Point: | 424.9°C |
| Solubility: | Soluble in acetone, alcohol, acetic acid (red color), and dilute aqueous alkali (blue-violet color). Insoluble in water. |
| Appearance: | dark brown crystals |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| Safety: | 37/39-26-24/25 |
| PSA: | 152.26000 |
| LogP: | 3.27740 |
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History
Orcein, also archil, orchil, lacmus, litmus, Citrus Red 2, and C.I. Natural Red 28, are names for dyes extracted from several species of lichen, and it also can be called orchella weeds, it can be found in various parts of the world. The manufacture was described by Cocq in 1812 and in the UK in 1874.
Specification
The Orcein, with the CAS registry number 1400-62-0, is also known as 2,8-Bis[(2,4-dihydroxy-6-methylphenyl)amino]-1,9-dimethyldibenzo[b,d]furan-3,7-dione. It belongs to the product categories of Organic matters.This chemical's molecular formula is C28H24N2O7 and molecular weight is 500.50. What's more,Its systematic name is Orcein.It is a dark brown crystals or powder.It is harmful if swallowed.When you use it ,wear suitable gloves and eye/face protection.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
Physical properties about Orcein are:
(1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 3.13; (4)ACD/LogD (pH 7.4): 3.12; (5)ACD/BCF (pH 5.5): 140.88; (6)ACD/BCF (pH 7.4): 138.74; (7)ACD/KOC (pH 5.5): 1201.50; (8)ACD/KOC (pH 7.4): 1183.29; (9)#H bond acceptors: 9; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.764; (13)Molar Refractivity: 132.529 cm3; (14)Molar Volume: 320.677 cm3; (15)Surface Tension: 88.2200012207031 dyne/cm; (16)Density: 1.561 g/cm3; (17)Flash Point: 424.918 °C; (18)Enthalpy of Vaporization: 117.324 kJ/mol; (19)Boiling Point: 778.99 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:O=C3/C=C1/O\C\4=C\C(=O)\C(=C(/C/4=C1/C(=C3/Nc2c(cc(O)cc2O)C)C)C)Nc5c(cc(O)cc5O)C;
(2)Std. InChI:InChI=1S/C28H24N2O7/c1-11-5-15(31)7-17(33)25(11)29-27-13(3)23-21(9-19(27)35)37-22-10-20(36)28(14(4)24(22)23)30-26-12(2)6-16(32)8-18(26)34/h5-10,29-34H,1-4H3;
(3)Std. InChIKey:VPEASJIRGSVXBF-UHFFFAOYSA-N.
The toxicity data of Orcein as follows:
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| log P (octanol-water) | 3.030 | (none) | EST | |
| Atmospheric OH Rate Constant | 2.62E-10 | cm3/molecule-sec | 25 | EST |