ChemicalBook--->CAS DataBase List--->828-26-2

828-26-2

828-26-2 Structure

828-26-2 Structure
IdentificationMore
[Name]

2,2,4,4,6,6-Hexamethyl-S-trithiane
[CAS]

828-26-2
[Synonyms]

2,2,4,4,6,6-HEXAMETHYL-1,3,5-TRITHIANE
2,2,4,4,6,6-HEXAMETHYL-S-TRITHIANE
FEMA 3475
TRITHIOACETONE
2,2,4,4,6,6-hexamethyl-s-trithian
2,2,4,4,6,6-Hexamethyl-s-trithiane (trithioacetone)
5-trithiane,2,2,4,4,6,6-hexamethyl-3
Hexamethyl-1,3,5-trithiane
Hexamethyl-s-trithiane
s-Trithiane, 2,2,4,4,6,6-hexamethyl-
TRITHIOACETONE 90+%
1,3,5-Trithiane, 2,2,4,4,6,6-hexamethyl-
TRITHIOACETONE, NATURAL
[EINECS(EC#)]

212-582-5
[Molecular Formula]

C9H18S3
[MDL Number]

MFCD00066341
[Molecular Weight]

222.43
[MOL File]

828-26-2.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow liquid
[Melting point ]

24 °C(lit.)
[Boiling point ]

105-107 °C10 mm Hg(lit.)
[density ]

1.065 g/mL at 25 °C(lit.)
[FEMA ]

3475
[refractive index ]

n20/D 1.54(lit.)
[Fp ]

207 °F
[storage temp. ]

Flammables area
[form ]

powder to lump to clear liquid
[color ]

White or Colorless to Light yellow
[Odor]

at 0.10 % in dipropylene glycol. sulfurous burnt earthy green blackberry
[biological source]

synthetic
[Odor Type]

fruity
[JECFA Number]

543
[Major Application]

flavors and fragrances
[InChI]

1S/C9H18S3/c1-7(2)10-8(3,4)12-9(5,6)11-7/h1-6H3
[InChIKey]

NBNWHQAWKFYFKI-UHFFFAOYSA-N
[SMILES]

CC1(C)SC(C)(C)SC(C)(C)S1
[LogP]

4.21
[CAS DataBase Reference]

828-26-2(CAS DataBase Reference)
[NIST Chemistry Reference]

1,3,5-Trithiane, 2,2,4,4,6,6-hexamethyl-(828-26-2)
[EPA Substance Registry System]

828-26-2(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi,F
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R36/38:Irritating to eyes and skin .
R11:Highly Flammable.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S9:Keep container in a well-ventilated place .
S33:Take precautionary measures against static discharges .
S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

UN 3334
[WGK Germany ]

2
[RTECS ]

YL8350000
[TSCA ]

TSCA listed
[HS Code ]

29309090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2,2,4,4,6,6-Hexamethyl-S-trithiane(828-26-2).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to light yellow liquid
[Occurrence]

Reported found in boiled and cooked beef.
[Uses]

flavors and fragrances
[Definition]

ChEBI: 2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane is a dithioketal.
[Aroma threshold values]

Aroma characteristics at 1.0% EtoH: sulfurous, burnt meaty, green, fruity, black currant, blackberry, cooling, catty and tropical with a grapefruit nuance.
[Taste threshold values]

Taste characteristics at 0.35 to 0.50 ppm: fruity, sulfurous, tangy berry, with cooling catty minty black currant and tropical nuances.
[Biological Activity]

Taste at 0.35-0.50 ppm
Spectrum DetailBack Directory
[Spectrum Detail]

2,2,4,4,6,6-Hexamethyl-S-trithiane(828-26-2)1HNMR
2,2,4,4,6,6-Hexamethyl-S-trithiane(828-26-2)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2,2,4,4,6,6-Hexamethyl-S-trithiane(828-26-2)
[Sigma Aldrich]

828-26-2(sigmaaldrich)
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