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2,2,4,4,6,6-Hexamethyl-S-trithiane

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2,2,4,4,6,6-Hexamethyl-S-trithiane

EINECS 212-582-5
CAS No. 828-26-2 Density 1.01 g/cm3
PSA 75.90000 LogP 4.40790
Solubility N/A Melting Point 24 ºC
Formula C9H18S3 Boiling Point 263.7 °C at 760 mmHg
Molecular Weight 222.44 Flash Point 97.2 °C
Transport Information N/A Appearance clear colorless to light yellow liquid
Safety Moderately toxic by ingestion. Explosive reaction with nitric acid. When heated to decomposition it emits toxic fumes of SOx. Risk Codes 36/37/38-11
Molecular Structure Molecular Structure of 828-26-2 (2,2,4,4,6,6-Hexamethyl-S-trithiane) Hazard Symbols FlammableFIrritantXi
Synonyms

s-Trithiane,2,2,4,4,6,6-hexamethyl- (8CI);s-Trithiane, hexamethyl- (6CI,7CI);2,2,4,4,6,6-Hexamethyl-s-trithiane;Hexamethyl-1,3,5-trithiane;Hexamethyl-s-trithiane;Trithioacetone;2.2.4.4.6.6-Hexamethyl-1.3.5-trithiane;

Article Data 11

2,2,4,4,6,6-Hexamethyl-S-trithiane Chemical Properties

Molecular Structure of 2,2,4,4,6,6-Hexamethyltrithiane (CAS NO.828-26-2):

IUPAC Name:  2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane
Molecular Formula: C9H18S3
Molecular Weight: 222.434220 g/mol
Index of Refraction: 1.514
Surface Tension: 35.1 dyne/cm
Density: 1.01 g/cm3
Flash Point: 97.2 °C
Enthalpy of Vaporization: 48.14 kJ/mol
Boiling Point: 263.7 °C at 760 mmHg
Vapour Pressure: 0.0165 mmHg at 25°C
Melting Point: 24 °C(lit.)
Storage temp: Flammables area 
EINECS: 212-582-5
Product Categories: Flavor
Appearance: clear colorless to light yellow liquid
Canonical SMILES: CC1(SC(SC(S1)(C)C)(C)C)C
InChI: InChI=1S/C9H18S3/c1-7(2)10-8(3,4)12-9(5,6)11-7/h1-6H3
InChIKey: NBNWHQAWKFYFKI-UHFFFAOYSA-N

2,2,4,4,6,6-Hexamethyl-S-trithiane Uses

 2,2,4,4,6,6-Hexamethyltrithiane (CAS NO.828-26-2) is used as additives.

2,2,4,4,6,6-Hexamethyl-S-trithiane Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2400mg/kg (2400mg/kg)   Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

2,2,4,4,6,6-Hexamethyl-S-trithiane Consensus Reports

Reported in EPA TSCA Inventory.

2,2,4,4,6,6-Hexamethyl-S-trithiane Safety Profile

Moderately toxic by ingestion. Explosive reaction with nitric acid. When heated to decomposition it emits toxic fumes of SOx.
Safety Information of 2,2,4,4,6,6-Hexamethyltrithiane (CAS NO.828-26-2):
Hazard Codes :IrritantXi,FlammableF
Risk Statements :36/37/38-11
R11:Highly flammable.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements :26-37/39-9-33-16
S9:Keep container in a well-ventilated place. 
S16:Keep away from sources of ignition. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S33:Take precautionary measures against static discharges. 
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany :2
RTECS: YL8350000

2,2,4,4,6,6-Hexamethyl-S-trithiane Specification

 2,2,4,4,6,6-Hexamethyltrithiane (CAS NO.828-26-2), its Synonyms are 1,3,5-Trithiane, 2,2,4,4,6,6-hexamethyl- ; 2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane ; 2,2,4,4,6,6-Hexamethyl-S-trithiane ; Hexamethyl-1,3,5-trithiane ; Hexamethyl-S-trithiane ; Hexamethyl-s-trithiane ; S-Trithiane, 2,2,4,4,6,6-hexamethyl- ; S-Trithiane, hexamethyl- ; Trithioacetone .

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