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2364-44-5

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Basic Information
CAS No.: 2364-44-5
Name: 4-Iodo-5-methyl-2-(1-methylethyl)phenol
Article Data: 8
Molecular Structure:
Molecular Structure of 2364-44-5 (4-Iodo-5-methyl-2-(1-methylethyl)phenol)
Formula: C10H13IO
Molecular Weight: 276.117
Synonyms: 6-Iodothymol;Iodotimol;Thymol,6-iodo- (6CI,7CI,8CI);4-Iodothymol;Thymolan;
Density: 1.566 g/cm3
Melting Point: 69 °C
Boiling Point: 302.7 °C at 760 mmHg
Flash Point: 136.9 °C
PSA: 20.23000
LogP: 3.42860
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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