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| CAS No.: | 55-93-6 |
|---|---|
| Name: | dimethylmyleran |
| Molecular Structure: | |
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| 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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- Total:10 Page 1 of 1 1
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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 .