828-26-2

Name 2,2,4,4,6,6-Hexamethyl-S-trithiane
CAS 828-26-2
EINECS(EC#) 212-582-5
Molecular Formula C9H18S3
MDL Number MFCD00066341
Molecular Weight 222.43
MOL File 828-26-2.mol
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Chemical Properties

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)
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Safety Data

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

Hazard Information

Material Safety Data Sheet(MSDS)

Spectrum Detail

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