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Trithioacetone

Trithioacetone structure

Trithioacetone 

structure
  • CAS No:

    828-26-2

  • Formula:

    C9H18S3

  • Chemical Name:

    Trithioacetone

  • Synonyms:

    1,3,5-Trithiane,2,2,4,4,6,6-hexamethyl-;s-Trithiane,2,2,4,4,6,6-hexamethyl-;s-Trithiane,hexamethyl-;2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane;Trithioacetone;Hexamethyl-s-trithiane;2,2,4,4,6,6-Hexamethyl-s-trithiane;Hexamethyl-1,3,5-trithiane

  • Categories:

    Flavors and Fragrances  >  Synthetic Fragrances

Description

clear colorless to light yellow liquid


Solid


2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane is a dithioketal.

Trithioacetone Basic Attributes

222.43

222.43

212-582-5

L0ME5B2ZWY

DTXSID2047723

2934999090

Characteristics

75.9

4.1

Solid

1.073 g/cm3 @ Temp: 20 °C

227 °C

105-107 °C @ Press: 10 Torr

207 °F

1.514

insoluble in water; miscible in oils

Flammables area

Safety Information

UN 3334

2

36/37/38-36/38-11

26-37/39-9-33-16

YL8350000

Xi,F

P261-P305 + P351 + P338

H315-H319-H335

|Warning|H315 (98.08%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 131 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Trithioacetone Use and Manufacturing

1,3,5-Trithiane, 2,2,4,4,6,6-hexamethyl-: ACTIVE

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Flavoring Agents

Computed Properties

Molecular Weight:222.4
XLogP3:4.1
Hydrogen Bond Acceptor Count:3
Exact Mass:222.05706409
Monoisotopic Mass:222.05706409
Topological Polar Surface Area:75.9
Heavy Atom Count:12
Complexity:131
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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