Introduction：Basic information about CAS 4430-31-3|Octahydrochromen-2-one, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Octahydrochromen-2-one |
|---|
| CAS Number | 4430-31-3 | Molecular Weight | 154.206 |
|---|
| Density | 1.1±0.1 g/cm3 | Boiling Point | 273.1±8.0 °C at 760 mmHg |
|---|
| Molecular Formula | C9H14O2 | Melting Point | / |
|---|
| MSDS | / | Flash Point | 109.0±15.9 °C |
|---|
Names
| Name | 3,4,4a,5,6,7,8,8a-octahydrochromen-2-one |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
|---|
| Boiling Point | 273.1±8.0 °C at 760 mmHg |
|---|
| Molecular Formula | C9H14O2 |
|---|
| Molecular Weight | 154.206 |
|---|
| Flash Point | 109.0±15.9 °C |
|---|
| Exact Mass | 154.099380 |
|---|
| PSA | 26.30000 |
|---|
| LogP | 1.35 |
|---|
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
|---|
| Index of Refraction | 1.478 |
|---|
| InChIKey | MSFLYJIWLHSQLG-UHFFFAOYSA-N |
|---|
| SMILES | O=C1CCC2CCCCC2O1 |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- GN8261500
- CHEMICAL NAME :
- Coumarin, octahydro-
- CAS REGISTRY NUMBER :
- 4430-31-3
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C9-H14-O2
- MOLECULAR WEIGHT :
- 154.23
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,781,1982 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3900 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,781,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 3500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,781,1982
|
Safety Information
| WGK Germany | 2 |
|---|
| RTECS | GN8261500 |
|---|
Synonyms
| Octahydrochromen-2-one |
| FEMA No. 3791 |
| Octahydrocoumarin |
| Octahydro-2H-chromen-2-one |
| octahydro-2H-1-benzopyran-2-one |
| 2H-1-Benzopyran-2-one, octahydro- |
| 2H-1-Benzopyran-2-one,octahydro |
| Octahydro-1-benzopyran-2-one |
| hexahydrocoumarin |
| Cyclohexyl lactone |
| 1-oxadecal-2-one |
| COUMARIN,OCTAHYDRO |
| Bicyclononalactone |
| EINECS 224-623-4 |
