Introduction：Basic information about CAS 80866-93-9|3,4-DIHYDRO-2,2-DIMETHYL-4-OXO-2H-PYRAN-6-CARBOXYLIC ACID, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3,4-DIHYDRO-2,2-DIMETHYL-4-OXO-2H-PYRAN-6-CARBOXYLIC ACID |
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| CAS Number | 80866-93-9 | Molecular Weight | 170.16300 |
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| Density | 1.1456 (rough estimate) | Boiling Point | 259ºC at 760 mmHg |
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| Molecular Formula | C8H10O4 | Melting Point | 170ºC (dec.)(lit.) |
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| MSDS | / | Flash Point | 102.4ºC |
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Names
| Name | 2,2-dimethyl-4-oxo-3H-pyran-6-carboxylic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.1456 (rough estimate) |
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| Boiling Point | 259ºC at 760 mmHg |
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| Melting Point | 170ºC (dec.)(lit.) |
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| Molecular Formula | C8H10O4 |
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| Molecular Weight | 170.16300 |
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| Flash Point | 102.4ºC |
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| Exact Mass | 170.05800 |
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| PSA | 63.60000 |
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| LogP | 0.72290 |
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| Index of Refraction | 1.4425 (estimate) |
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| InChIKey | ANKQOBXQEHGUJT-UHFFFAOYSA-N |
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| SMILES | CC1(C)CC(=O)C=C(C(=O)O)O1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UP6990000
- CHEMICAL NAME :
- 4H-Pyran-2-carboxylic acid, 5,6-dihydro-6,6-dimethyl-4-oxo-
- CAS REGISTRY NUMBER :
- 80866-93-9
- BEILSTEIN REFERENCE NO. :
- 0121772
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C8-H10-O4
- MOLECULAR WEIGHT :
- 170.18
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 595 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- REFERENCE :
- FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 42,145,1987
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Safety Information
| Hazard Codes | Xn: Harmful; |
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| Risk Phrases | 22 |
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| Safety Phrases | S24/25 |
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| WGK Germany | 3 |
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| RTECS | UP6990000 |
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| HS Code | 2932999099 |
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Customs
| HS Code | 2932999099 |
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| Summary | 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 4H-Pyran-2-carboxylic acid,5,6-dihydro-6,6-dimethyl-4-oxo |
| 5,6-Dihydro-6,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid |
| EINECS 279-596-1 |
| 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid |
| 3,4-dihydro-2,2-dimethyl-4-oxo-2H-pyrane-6-carboxylic acid |
| 2,2-dimethyl-4-oxo-3,4-dihydro-2H-pyran-6-carboxylic acid |
| 6,6-Dimethyl-4-oxo-5,6-dihydro-4H-pyran-2-carbonsaeure |
| Acide dimethyl-6,6 dihydro-5,6 pyrone-4 carboxylique-2 [French] |
| 5,6-dihydro-6,6-dimethyl-4-oxo-4H-pyran-2-ylcarboxylic acid |
| acide dimethyl-6,6 dihydro-5,6 pyrone-4 carboxylique-2 |
| 6,6-dimethyl-4-oxo-5H-6-hydropyran-2-carboxylic acid |
| 6,6-dimethyl-4-oxo-5,6-dihydro-4H-pyran-2-carboxylic acid |
| MFCD00006575 |
| 2H-Pyran-6-carboxylic acid,3,4-dihydro-2,2-dimethyl-4-oxo |
