CAS No.828-26-2,2,2,4,4,6,6-Hexamethyl-S-trithiane Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	828-26-2
Name:	2,2,4,4,6,6-Hexamethyl-S-trithiane
Article Data:	11

Formula:	C₉H₁₈S₃
Molecular Weight:	222.44
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;
EINECS:	212-582-5
Density:	1.01 g/cm³
Melting Point:	24 ºC
Boiling Point:	263.7 °C at 760 mmHg
Flash Point:	97.2 °C
Appearance:	clear colorless to light yellow liquid
Hazard Symbols:	FXi
Risk Codes:	36/37/38-11
Safety:	Moderately toxic by ingestion. Explosive reaction with nitric acid. When heated to decomposition it emits toxic fumes of SO_x.
PSA:	75.90000
LogP:	4.40790

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Chemistry

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

Uses

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

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.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion. Explosive reaction with nitric acid. When heated to decomposition it emits toxic fumes of SO_x.
Safety Information of 2,2,4,4,6,6-Hexamethyltrithiane (CAS NO.828-26-2):
Hazard Codes : Irritant Xi,F
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

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 .