(+)-3-Thujone
Modify Date: 2025-08-25 12:29:45
(+)-3-Thujone structure
|
Common Name | (+)-3-Thujone | ||
|---|---|---|---|---|
| CAS Number | 471-15-8 | Molecular Weight | 304.46700 | |
| Density | 1.009g/cm3 | Boiling Point | 200.5ºC at 760 mmHg | |
| Molecular Formula | C20H32O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 64.4ºC | |
| Name | (+)-β-thujone |
|---|---|
| Synonym | More Synonyms |
| Density | 1.009g/cm3 |
|---|---|
| Boiling Point | 200.5ºC at 760 mmHg |
| Molecular Formula | C20H32O2 |
| Molecular Weight | 304.46700 |
| Flash Point | 64.4ºC |
| Exact Mass | 304.24000 |
| PSA | 34.14000 |
| LogP | 4.51520 |
| Vapour Pressure | 0.323mmHg at 25°C |
| Index of Refraction | 1.499 |
| InChIKey | USMNOWBWPHYOEA-XKSSXDPKSA-N |
| SMILES | CC1C(=O)CC2(C(C)C)CC12 |
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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| Risk Phrases | 23/24/25-36/37/38-42/43 |
|---|---|
| Safety Phrases | 23-26-36/37/39-45 |
| RIDADR | UN 2810 6.1/PG 3 |
|
Name: Antinociceptive activity in male white mouse at 100 mg/kg, sc by hot plate test
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL3285834
|
|
Name: Antinociceptive activity in male white mouse at 100 mg/kg, sc by Nilsen test
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL3285837
|
|
Name: Toxicity in sc dosed male white mouse
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL3285839
|
|
Name: Toxicity in male white mouse assessed as induction of convulsions at 100 mg/kg, sc
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL3285842
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Total 4, Current Page 1 of 1
1
| (+)-beta-thujone |
| Thujone trans |
| Thujone cis |
| D-isothujone |
| (+)-(1S,4S,5R)-thujan-3-one |
| (+)-Isothujon |
| THUJONE |
| (E)-Thujone |
| cis-Thujone |
| trans-Thujone |
| (Z)-thujone |