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55-93-6

Basic Information
CAS No.: 55-93-6
Name: dimethylmyleran
Article Data: 5
Molecular Structure:
Molecular Structure of 55-93-6 (dimethylmyleran)
Formula: C8H18O6S2
Molecular Weight: 274.359
Synonyms: 2,5-hexanediol dimethanesulfonate;2,5-bis(methylsulfonyloxy)hexane;DIMETHYLMYLERAN;2,5-bis-methanesulfonyloxy-hexane;1,4-Dimethyl-1,4-butandiol-dimethansulfonat;2,5-Bis-methansulfonyloxy-hexan;
Density: 1.269g/cm3
Boiling Point: 459.8°Cat760mmHg
Flash Point: 231.9°C
Safety: Poison by intravenous and intraperitoneal routes. Mutation data reported. Used for treatment of chronic granulocytic leukemia. When heated to decomposition it emits very toxic fumes of SOx.
PSA: 103.50000
LogP: 2.65760
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Chemistry

Molecule structure of Dimethylmyleran (CAS NO.55-93-6):

IUPAC Name: 5-Methylsulfonyloxyhexan-2-yl methanesulfonate 
Molecular Weight: 274.35492 g/mol
Molecular Formula: C8H18O6S2 
Density: 1.269 g/cm3 
Boiling Point: 459.8 °C at 760 mmHg 
Flash Point: 231.9 °C
Index of Refraction: 1.468
Molar Refractivity: 60.15 cm3
Molar Volume: 216.1 cm3
Polarizability: 23.84×10-24 cm3
Surface Tension: 42.2 dyne/cm 
Enthalpy of Vaporization: 69.27 kJ/mol
Vapour Pressure: 3.36E-08 mmHg at 25 °C
XLogP3-AA: 0.7
H-Bond Acceptor: 6
Rotatable Bond Count: 7
Exact Mass: 274.05448
MonoIsotopic Mass: 274.05448
Topological Polar Surface Area: 86.7
Heavy Atom Count: 16
Complexity: 345
Canonical SMILES: CC(CCC(C)OS(=O)(=O)C)OS(=O)(=O)C
InChI: InChI=1S/C8H18O6S2/c1-7(13-15(3,9)10)5-6-8(2)14-16(4,11)12/h7-8H,5-6H2,1-4H3
InChIKey of Dimethylmyleran (CAS NO.55-93-6): JDZNTUQRMDAIRO-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

sln-dmg-orl 1 pph

    ZEVBA5    Zeitschrift fuer Verebungslehre. 90 (1959),457.
2.    

dlt-ofs-ipr 4 mg/kg

    MUREAV    Mutation Research. 58 (1978),263.
3.    

spm-mus-ipr 4 mg/kg

    EXPEAM    Experientia. 30 (1974),178.
4.    

dlt-mus-ipr 8 mg/kg

    IRLCDZ    IRCS Medical Science: Library Compendium. 5 (1977),341.
5.    

ipr-mus LD50:16 mg/kg

    JNCIAM    Journal of the National Cancer Institute. 56 (1976),609.
6.    

ivn-dog LDLo:1 mg/kg

    CCSUBJ    Cancer Chemotherapy Reports, Part 2. 2 (1965),203.
7.    

ivn-mky LDLo:1 mg/kg

    CCSUBJ    Cancer Chemotherapy Reports, Part 2. 2 (1965),203.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Poison by intravenous and intraperitoneal routes. Mutation data reported. Used for treatment of chronic granulocytic leukemia. When heated to decomposition it emits very toxic fumes of SOx.

Specification

  Dimethylmyleran (CAS NO.55-93-6) is also named as 1,4-Bis(methylsulfonyloxy)-1,4-dimethylbutane ; 1,4-Dimethanesulfonoxy-1,4-dimethylbutane ; 2,5-Dimethanesulfomyloxyhexane ; 2,5-Hexanediol, dimethylsulfonate ; AI3-50858 ; CB 2348 ; DMM ; Dimethylbusulfan ; Methanesulfonic acid, 1,4-dimethyltetramethylene ester (6CI) ; NSC 180541 ; NSC-23890 ; OS 22 .