![(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one (CAS: 546-80-5) - Chemical Structure and Molecular Formula](/static/img/prod_pic/FT-0774171.png "(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one chemical structure")
(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
Catalog No: FT-0774171
CAS No: 546-80-5
- Chemical Name: (1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
- Molecular Formula: C10H16O
- Molecular Weight: 152.23
- InChI Key: USMNOWBWPHYOEA-MRTMQBJTSA-N
- InChI: InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1
| Assay | Pack Size | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| CAS: | 546-80-5 |
|---|---|
| MF: | C10H16O |
| Density: | 0.914 g/mL at 20ºC(lit.) |
| Flash_Point: | 148 °F |
| Melting_Point: | 181ºC |
| Product_Name: | (-)-α-thujone |
| Symbol: | GHS07 |
| Bolling_Point: | 84-86ºC17 mm Hg(lit.) |
| FW: | 152.23300 |
| MF: | C10H16O |
|---|---|
| Density: | 0.914 g/mL at 20ºC(lit.) |
| Computational_Chemistry: | ['1. XlogP :23 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :3 ', '6. TPSA 171 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :207 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :3 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| Exact_Mass: | 152.12000 |
| Flash_Point: | 148 °F |
| PSA: | 17.07000 |
| LogP: | 2.25760 |
| Melting_Point: | 181ºC |
| Bolling_Point: | 84-86ºC17 mm Hg(lit.) |
| FW: | 152.23300 |
| Refractive_Index: | n20/D 1.450 |
| Personal_Protective_Equipment: | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
|---|---|
| Safety_Statements: | 23-26-36/37/39-45 |
| Symbol: | GHS07 |
| RTECS: | XO9625000 |
| Risk_Statements(EU): | R22 |
| RIDADR: | UN 2810 6.1/PG 3 |
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