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Home > Encyclopedia > 2,5-dimethyl-1,4-dithiane

2,5-dimethyl-1,4-dithiane

2,5-dimethyl-1,4-dithiane structure

2,5-dimethyl-1,4-dithiane 

structure
  • CAS No:

    72033-37-5

  • Formula:

    C6H12S2

  • Chemical Name:

    2,5-dimethyl-1,4-dithiane

  • Synonyms:

    2,5-Dimethyl-1,4-dithiane;72033-37-5;1,4-Dithiacyclohexane, 3,6-dimethyl;2,5-Dimethyl-dithiane;BRN 0103050;p-DITHIANE, 2,5-DIMETHYL-;4-19-00-00064 (Beilstein Handbook Reference);SCHEMBL789427;1,4-Dithiane, 3,6-dimethyl;DTXSID50992724

2,5-dimethyl-1,4-dithiane Basic Attributes

148.3 g/mol

148.03804273 g/mol

Characteristics

50.6 Ų

2.2434

Toxicity

Name Type of Test Exposure Route Species Observed Dose/Duration Toxic Effects Reference
ACUTE TOXICITY DATA LD50 - Lethal dose, 50 percent kill Oral Rodent - mouse 560 mg/kg Details of toxic effects not reported other than lethal dose value-- Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 3,249,1980

Analysis Methods

Name Column Shape Active Phase(℃) Retention index Temperature Control Method Comments Reference
Normal alkane RI, non-polar column, temperature ramp Capillary HP-5 1130. temperature ramp 30. m/0.25 mm/0.25 μm, N2, 40. C @ 3. min, 4. K/min, 240. C @ 10. min Kubec, R.Velísek, J.Dolezal, M.Kubelka, V.Sulfur-containing volatiles arising by thermal degradation of alliin and deoxyalliinJ. Agric. Food Chem.1997, 45, 9, 3580-3585.
Normal alkane RI, non-polar column, temperature ramp Capillary HP-5 1136. temperature ramp 30. m/0.25 mm/0.25 μm, N2, 40. C @ 3. min, 4. K/min, 240. C @ 10. min Kubec, R.Velísek, J.Dolezal, M.Kubelka, V.Sulfur-containing volatiles arising by thermal degradation of alliin and deoxyalliinJ. Agric. Food Chem.1997, 45, 9, 3580-3585.
Normal alkane RI, non-polar column, temperature ramp Capillary DB-1 1134. temperature ramp 60. m/0.25 mm/1.0 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min Yu, T.-H.Wu, C.-M.Ho, C.-T.Meat-like flavor generated from thermal interactions of glucose and alliin or deoxyalliinJ. Agric. Food Chem.1994, 42, 4, 1005-1009.
Normal alkane RI, non-polar column, temperature ramp Capillary DB-1 1157. temperature ramp 60. m/0.25 mm/1.0 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min Yu, T.-H.Wu, C.-M.Ho, C.-T.Meat-like flavor generated from thermal interactions of glucose and alliin or deoxyalliinJ. Agric. Food Chem.1994, 42, 4, 1005-1009.
Normal alkane RI, non-polar column, temperature ramp Capillary DB-1 1162. temperature ramp 60. m/0.25 mm/1.0 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min Yu, T.-H.Wu, C.-M.Ho, C.-T.Meat-like flavor generated from thermal interactions of glucose and alliin or deoxyalliinJ. Agric. Food Chem.1994, 42, 4, 1005-1009.

Computed Properties

Molecular Weight:148.3
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Exact Mass:148.03804273
Monoisotopic Mass:148.03804273
Topological Polar Surface Area:50.6
Heavy Atom Count:8
Complexity:62.9
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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