Introduction：Basic information about CAS 18309-32-5|Bicyclo[3.1.1]hept-3-en-2-one,4,6,6-trimethyl-, (1R,5R)-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Bicyclo[3.1.1]hept-3-en-2-one,4,6,6-trimethyl-, (1R,5R)- |
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| CAS Number | 18309-32-5 | Molecular Weight | 150.21800 |
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| Density | 0.992g/cm3 | Boiling Point | 227.5ºC at 760mmHg |
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| Molecular Formula | C10H14O | Melting Point | / |
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| MSDS | / | Flash Point | 85ºC |
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Names
| Name | 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.992g/cm3 |
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| Boiling Point | 227.5ºC at 760mmHg |
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| Molecular Formula | C10H14O |
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| Molecular Weight | 150.21800 |
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| Flash Point | 85ºC |
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| Exact Mass | 150.10400 |
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| PSA | 17.07000 |
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| LogP | 2.17770 |
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| Index of Refraction | 1.494 |
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| InChIKey | DCSCXTJOXBUFGB-SFYZADRCSA-N |
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| SMILES | CC1=CC(=O)C2CC1C2(C)C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- TK5075000
- CHEMICAL NAME :
- 2-Pinen-4-one, (1R,5R)-(+)-
- CAS REGISTRY NUMBER :
- 18309-32-5
- BEILSTEIN REFERENCE NO. :
- 2042766
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C10-H14-O
- MOLECULAR WEIGHT :
- 150.24
- WISWESSER LINE NOTATION :
- L46 A EV FUTJ A1 A1 G1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 250 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 7,794,1955
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Safety Information
Synonyms
| Verbinone |
| (1R)-(+)-2,6,6-trimethylbicyclo[3.1.1.]-2-hepten-4-one |
| (1R,5R)-(+)-2-Pinen-4-one |
| Verbenone,(+)-vone |
| D-Verbenone |
| (1R,5R)-(+)-verbenone |
| VERBENONE |
| (1R)-(+)-verbenone |
| Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1R-cis)- |
| (+)-(R)-verbenone |
| (1R)-2,6,6-trimethylbicyclo[3.1.1]hept-2-en-4-one |
| 2-Pinen-4-one,(1R,5R)-(+) |
| Verbenone,(d) |
| (1r,5r)-(+)-2-pinen-4-on |
