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CAS No.: | 828-26-2 |
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Name: | 2,2,4,4,6,6-Hexamethyl-S-trithiane |
Article Data: | 11 |
Molecular Structure: | |
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 SOx. |
PSA: | 75.90000 |
LogP: | 4.40790 |
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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-Hexamethyltrithiane (CAS NO.828-26-2) is used as additives.
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. |
Reported in EPA TSCA Inventory.
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 :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
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 .