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Didodecyl sulfide

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Name

Didodecyl sulfide

EINECS 219-587-1
CAS No. 2469-45-6 Density 0.845 g/cm3
PSA 25.30000 LogP 9.56140
Solubility N/A Melting Point 38-40 °C(lit.)
Formula C24H50S Boiling Point 465.442 °C at 760 mmHg
Molecular Weight 370.727 Flash Point 254.495 °C
Transport Information N/A Appearance white to light yellow crystalline powder or flakes
Safety 24/25 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 2469-45-6 (Didodecyl sulfide) Hazard Symbols HarmfulXn
Synonyms

Dodecylsulfide (6CI,7CI,8CI);Bis(dodecyl) sulfide;Bis(n-dodecyl) sulfide;Di-n-dodecyl sulfide;Dilauryl sulfide;NSC 12039;n-Dodecylsulfide;

Article Data 21

Didodecyl sulfide Specification

The Didodecyl sulfide, with the CAS registry number 2469-45-6, is also known as Bis(n-dodecyl)sulfide. It belongs to the product categories of Organic Building Blocks; Sulfides/Disulfides; Sulfur Compounds. Its EINECS registry number is 219-587-1. This chemical's molecular formula is C24H50S and molecular weight is 370.72. Its IUPAC name is called 1-dodecylsulfanyldodecane. This chemical is white to light yellow crystalline powder or flakes.

Physical properties of Didodecyl sulfide: (1)ACD/LogP: 12.58; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 12.58; (4)ACD/LogD (pH 7.4): 12.58; (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)#Freely Rotating Bonds: 22; (10)Index of Refraction: 1.464; (11)Molar Refractivity: 121.23 cm3; (12)Molar Volume: 438.6 cm3; (13)Surface Tension: 31.3 dyne/cm; (14)Density: 0.845 g/cm3; (15)Flash Point: 254.5 °C; (16)Enthalpy of Vaporization: 69.92 kJ/mol; (17)Boiling Point: 465.4 °C at 760 mmHg; (18)Vapour Pressure: 2.14E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by didodecyl sulfoxide. This reaction will need reagent NaBH4, NiCl2 and solvent tetrahydrofuran. The reaction time is 1.5 hours with reaction temperature of 0 - 5 °C. The yield is about 96%.

Uses of Didodecyl sulfide: it can be used to produce didodecyl sulfoxide. This reaction will need reagent CrO3, glacial acetic acid.

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 and may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. In addition, 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 gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCSCCCCCCCCCCCC
(2)InChI: InChI=1S/C24H50S/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
(3)InChIKey: UPYPTOCXMIWHSG-UHFFFAOYSA-N

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