CAS No.552-22-7,THYMOL IODIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	552-22-7
Name:	THYMOL IODIDE

Formula:	C₂₀H₂₄I₂O₂
Molecular Weight:	550.21
Synonyms:	Hypoiodousacid, 2,2'-dimethyl-5,5'-bis(1-methylethyl)[1,1'-biphenyl]-4,4'-diyl ester(9CI);Thymol iodide (6CI,8CI);Annidalin;Aristol;Iodistol;Iodohydromol;Iodosol;Iodothymol;Iosol;Iothymol;Lothymol;Thymiode;Thymiodol;Thymodin;Thymotol;
EINECS:	209-007-5
Density:	1.617g/cm³
Melting Point:	69oC
Boiling Point:	479 °C at 760 mmHg
Flash Point:	243.5 °C
Solubility:	Insoluble (soluble in ether, chloroform)	reddish-brown or yellow crystalline powder
Hazard Symbols:	C
Risk Codes:	34
Safety:	36/37/39-26
PSA:	18.46000
LogP:	7.67480

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Specification

The Hypoiodous acid,I,I'-[2,2'-dimethyl-5,5'-bis(1-methylethyl)[1,1'-biphenyl]-4,4'-diyl] ester, with the CAS registry number 552-22-7, is also known as Thymol iodide. Its EINECS number is 209-007-5. It belongs to the product category of Organics. This chemical's molecular formula is C₂₀H₂₄I₂O₂ and molecular weight is 550.21. What's more, its systematic name is 2,2'-Dimethyl-5,5'-di(propan-2-yl)biphenyl-4,4'-diyl dihypoiodite. It has slight iodine smell, and when it is combusted, it can produce toxic gases iodine. What's more, the product should be sealed and stored in containers with dry inert gas which are placed in cool, ventilated and dry places.

Physical properties of Hypoiodous acid,I,I'-[2,2'-dimethyl-5,5'-bis(1-methylethyl)[1,1'-biphenyl]-4,4'-diyl] ester are: (1)ACD/LogP: 11.04; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 11.04; (4)ACD/LogD (pH 7.4): 11.04; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 118.89 cm³; (15)Molar Volume: 340 cm³; (16)Polarizability: 47.13×10^-24cm³; (17)Surface Tension: 42.3 dyne/cm; (18)Density: 1.617 g/cm³; (19)Flash Point: 243.5 °C; (20)Enthalpy of Vaporization: 71.49 kJ/mol; (21)Boiling Point: 479 °C at 760 mmHg; (22)Vapour Pressure: 7.11E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so you should keep it away from sources of ignition - No smoking. It is harmful if swallowed. It has the risk of serious damage to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=C(C=C1C2=CC(=C(C=C2C)OI)C(C)C)C(C)C)OI
(2)InChI: InChI=1S/C20H24I2O2/c1-11(2)15-9-17(13(5)7-19(15)23-21)18-10-16(12(3)4)
20(24-22)8-14(18)6/h7-12H,1-6H3
(3)InChIKey: SHOKWSLXDAIZPP-UHFFFAOYSA-N