| Identification | More | [Name]
2-METHYL-1,3-DITHIANE | [CAS]
6007-26-7 | [Synonyms]
2-METHYL-1,3-DITHIANE
2-methyl-3-dithiane
2-methyl-m-dithian
2-Methyl-m-dithiane
Acetaldehyde, cyclic trimethylene mercaptal
m-Dithiane, 2-methyl-
Methyl-2 dithiane-1,3
methyl-2dithiane-1,3
2-Methyl-1,3-dithiane 98% | [EINECS(EC#)]
227-859-6 | [Molecular Formula]
C5H10S2 | [MDL Number]
MFCD00014652 | [Molecular Weight]
134.26 | [MOL File]
6007-26-7.mol |
| Chemical Properties | Back Directory | [Boiling point ]
56-59 °C/3 mmHg (lit.) | [density ]
1.121 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.560(lit.)
| [Fp ]
180 °F
| [storage temp. ]
Storage temp. 2-8°C | [form ]
Liquid | [color ]
Colorless to brown | [Odor]
at 0.10 % in dipropylene glycol. sulfurous | [Odor Type]
sulfurous | [Water Solubility ]
Not miscible or difficult to mix in water. Soluble in alcohol. | [BRN ]
102766 | [InChI]
1S/C5H10S2/c1-5-6-3-2-4-7-5/h5H,2-4H2,1H3 | [InChIKey]
KXROTPXCYDXGSC-UHFFFAOYSA-N | [SMILES]
CC1SCCCS1 | [LogP]
2.265 (est) | [CAS DataBase Reference]
6007-26-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes . | [RIDADR ]
3334 | [WGK Germany ]
3
| [RTECS ]
JO5263000
| [HS Code ]
2934999090 | [Storage Class]
10 - Combustible liquids |
| Hazard Information | Back Directory | [Uses]
2-Methyl-1,3-dithiane is suitable for use in the preparation of potassium trifluoro(2-methyl-1,3-dithiano)borate. | [Uses]
It has been employed in the synthesis of methyl ketones. 2-Methyl-1,3-dithiane is suitable for use in the preparation of potassium trifluoro(2-methyl-1,3-dithiano)borate. | [Synthesis Reference(s)]
Tetrahedron Letters, 27, p. 6305, 1986 DOI: 10.1016/S0040-4039(00)87793-X | [General Description]
2-Methyl-1,3-dithiane is a versatile acyl anion equivalent. Role of hyperconjugation in the conformational analysis of 2-methyl-1,3-dithiane has been reported. | [Purification Methods]
Wash the dithiane with H2O, 2.5 M aqueous NaOH, H2O, brine, dry over K2CO3 (use toluene as solvent if the volume of reagent is small), filter, evaporate and distil the colourless residue. IR film: 1455, 1371 and 1060 (all medium and CH3), 1451m, 1422s, 1412m, 1275m, 1236m, max 1190m, 1171w, 918m and 866w (all dithiane) cm-1 [Corey & Erickson J Org Chem 36 3553 1971, Seebach & Corey J Org Chem 40 231 1975]. [Beilstein 19 III/IV 49, 19/1 V 53.] |
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Energy Chemical
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Sigma-Aldrich
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