Phenol,4-iodo-5-methyl-2-(1-methylethyl)- supplier

Name
4-Iodo-5-methyl-2-(1-methylethyl)phenol
EINECS
CAS No. 2364-44-5
Article Data8
CAS DataBase
Density 1.566 g/cm³
Solubility
Melting Point 69 °C
Formula C₁₀H₁₃IO
Boiling Point 302.7 °C at 760 mmHg
Molecular Weight 276.117
Flash Point 136.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Iodothymol;Iodotimol;Thymol,6-iodo- (6CI,7CI,8CI);4-Iodothymol;Thymolan;
PSA 20.23000
LogP 3.42860

Phenol,4-iodo-5-methyl-2-(1-methylethyl)- Specification

The Phenol,4-iodo-5-methyl-2-(1-methylethyl)-, with the CAS registry number 2364-44-5, is also known as 4-Iodothymol. This chemical's molecular formula is C₁₀H₁₃IO and molecular weight is 276.1141. Its IUPAC name is called 4-iodo-5-methyl-2-propan-2-ylphenol.

Physical properties of Phenol,4-iodo-5-methyl-2-(1-methylethyl)-: (1)ACD/LogP: 4.71; (2)#H bond acceptors: 1; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Index of Refraction: 1.596; (6)Molar Refractivity: 60.05 cm³; (7)Molar Volume: 176.2 cm³; (8)Surface Tension: 42.6 dyne/cm; (9)Density: 1.566 g/cm³; (10)Flash Point: 136.9 °C; (11)Enthalpy of Vaporization: 56.47 kJ/mol; (12)Boiling Point: 302.7 °C at 760 mmHg; (13)Vapour Pressure: 0.000543 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=C(C=C1I)C(C)C)O
(2)InChI: InChI=1S/C10H13IO/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,12H,1-3H3
(3)InChIKey: OUYBTFOUTJAWPZ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
frog	LDLo	parenteral	606mg/kg (606mg/kg)		Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 56, Pg. 174, 1960.
mouse	LD50	oral	1750mg/kg (1750mg/kg)		Pharmazie. Vol. 30, Pg. 147, 1975.
mouse	LDLo	subcutaneous	1400mg/kg (1400mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 56, Pg

Product Name

4-Iodo-5-methyl-2-(1-methylethyl)phenol

Phenol,4-iodo-5-methyl-2-(1-methylethyl)- Specification

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