CAS No.49543-63-7,4-(tert-Butyl)benzyl mercaptan Suppliers

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Basic Information

Molecular Structure:
CAS No.:	49543-63-7
Name:	4-(tert-Butyl)benzyl mercaptan
Article Data:	2

Formula:	C₁₁H₁₆S
Molecular Weight:	180.314
Synonyms:	(4-tert-Butylphenyl)methanethiol;4-tert-Butylbenzenemethanethiol;4-tert-Butylbenzyl mercaptan;4-tert-Butylbenzylthiol;p-tert-Butylbenzenemethanethiol;p-tert-Butylbenzylmercaptan;
Density:	0.966 g/cm³
Boiling Point:	256.2 °C at 760 mmHg
Flash Point:	102.3 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	38.80000
LogP:	3.41390

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Specification

The Benzenemethanethiol,4-(1,1-dimethylethyl)-, with the CAS registry number 49543-63-7, is also known as 4-tert-Butyl benzyl mercaptan. It belongs to the product categories of Organic Building Blocks; Sulfur Compounds; Thiols/Mercaptans. This chemical's molecular formula is C₁₁H₁₆S and molecular weight is 180.30974. Its IUPAC name is called (4-tert-butylphenyl)methanethiol. What's more, the product should be sealed and stored in cool and dry place. It can be used as intermediate of synthetic acaricides benzyl pyridaben.

Physical properties of Benzenemethanethiol,4-(1,1-dimethylethyl)-: (1)ACD/LogP: 4.43; (2)ACD/LogD (pH 5.5): 4.43; (3)ACD/LogD (pH 7.4): 4.43; (4)ACD/BCF (pH 5.5): 1363.85; (5)ACD/BCF (pH 7.4): 1358.94; (6)ACD/KOC (pH 5.5): 6101.8; (7)ACD/KOC (pH 7.4): 6079.85; (8)#Freely Rotating Bonds: 3; (9)Index of Refraction: 1.528; (10)Molar Refractivity: 57.45 cm³; (11)Molar Volume: 186.4 cm³; (12)Surface Tension: 32.1 dyne/cm; (13)Density: 0.966 g/cm³; (14)Flash Point: 102.3 °C; (15)Enthalpy of Vaporization: 47.38 kJ/mol; (16)Boiling Point: 256.2 °C at 760 mmHg; (17)Vapour Pressure: 0.0251 mmHg at 25°C.

Preparation: this chemical can be prepared by tert-butyl benzyl chloride, toluene, TBAB and acetic acid. This reaction will need reagent sodium hydrosulfide solution.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)CS
(2)InChI: InChI=1S/C11H16S/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3
(3)InChIKey: UIYKSYBJKIMANV-UHFFFAOYSA-N