Introduction：Basic information about CAS 13861-97-7|4,4-dimethyloxolan-2-one, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4,4-dimethyloxolan-2-one |
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| CAS Number | 13861-97-7 | Molecular Weight | 114.14200 |
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| Density | 0.995g/cm3 | Boiling Point | 191.5ºC at 760 mmHg |
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| Molecular Formula | C6H10O2 | Melting Point | / |
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| MSDS | / | Flash Point | 66.9ºC |
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Names
| Name | 4,4-dimethyloxolan-2-one |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.995g/cm3 |
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| Boiling Point | 191.5ºC at 760 mmHg |
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| Molecular Formula | C6H10O2 |
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| Molecular Weight | 114.14200 |
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| Flash Point | 66.9ºC |
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| Exact Mass | 114.06800 |
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| PSA | 26.30000 |
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| LogP | 0.95950 |
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| Vapour Pressure | 0.513mmHg at 25°C |
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| Index of Refraction | 1.428 |
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| InChIKey | LZAKUZBAAQDJCF-UHFFFAOYSA-N |
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| SMILES | CC1(C)COC(=O)C1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- LU3569150
- CHEMICAL NAME :
- 2(3H)-Furanone, dihydro-4,4-dimethyl-
- CAS REGISTRY NUMBER :
- 13861-97-7
- BEILSTEIN REFERENCE NO. :
- 0107181
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C6-H10-O2
- MOLECULAR WEIGHT :
- 114.16
- WISWESSER LINE NOTATION :
- T5OVTJ D1 D1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 80 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 10,243,1960
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Safety Information
Customs
| HS Code | 2932209090 |
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| Summary | 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 2(3H)-Furanone,dihydro-4,4-dimethyl |
| 4,4-dimethyl-dihydro-furan-2-one |
| Dihydro-4,4-dimethyl-2(3H)-furanone |
| 3,3-dimethylbutyrolactone |
| Dihydro-3,3-dimethyl-2(3H)-furanone |
| 4,4-Dimethylbutyrolactone |
