Title: Cheirolin

CAS Registry Number: 505-34-0

CAS Name: 1-Isothiocyanato-3-(methylsulfonyl)propane

Additional Names: isothiocyanic acid 3-(methylsulfonyl)propyl ester; g-isothiocyanopropyl methyl sulfone; methylpropylsulfone mustard oil

Molecular Formula: C5H9NO2S2

Molecular Weight: 179.26

Percent Composition: C 33.50%, H 5.06%, N 7.81%, O 17.85%, S 35.77%

Line Formula: CH3SO2(CH2)3NCS

Literature References: From seed of Cheiranthus cheiri L., Cruciferae: Wagner, Chem. Ztg. 32, 76 (1908); Schneider, Ber. 41, 4466 (1909); 42, 3416 (1910). Structure: idem., Ann. 375, 207 (1910). Synthesis: Kjaer et al., Acta Chem. Scand. 7, 1370 (1953). Prepn by enzymatic hydrolysis of glucocheirolin: Kjaer, Jensen, ibid. 12, 1746 (1958).

Properties: Crystals from ether, mp 47-48°. bp3 200°. Slightly sol in water, ether; freely sol in alcohol, chloroform, ethyl acetate.

Melting point: mp 47-48°

Boiling point: bp3 200°

 

 

Status: This monograph has been retired and is no longer subject to revision or update.