Introduction：Basic information about CAS 13706-86-0|5-Methyl-2,3-hexanedione, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 5-Methyl-2,3-hexanedione |
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| CAS Number | 13706-86-0 | Molecular Weight | 128.169 |
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| Density | 0.9±0.1 g/cm3 | Boiling Point | 138.0±0.0 °C at 760 mmHg |
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| Molecular Formula | C7H12O2 | Melting Point | / |
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| MSDS | / | Flash Point | 41.7±4.4 °C |
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Names
| Name | 5-Methyl-2,3-hexanedione |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
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| Boiling Point | 138.0±0.0 °C at 760 mmHg |
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| Molecular Formula | C7H12O2 |
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| Molecular Weight | 128.169 |
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| Flash Point | 41.7±4.4 °C |
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| Exact Mass | 128.083725 |
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| PSA | 34.14000 |
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| LogP | 0.08 |
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| Vapour Pressure | 6.9±0.2 mmHg at 25°C |
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| Index of Refraction | 1.412 |
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| InChIKey | PQCLJXVUAWLNSV-UHFFFAOYSA-N |
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| SMILES | CC(=O)C(=O)CC(C)C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- MO3200000
- CHEMICAL NAME :
- 2,3-Hexanedione, 5-methyl-
- CAS REGISTRY NUMBER :
- 13706-86-0
- BEILSTEIN REFERENCE NO. :
- 1745751
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C7-H12-O2
- MOLECULAR WEIGHT :
- 128.19
- WISWESSER LINE NOTATION :
- 1Y1&1VV1
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: 20,637,1982 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >5 gm/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: 20,637,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >5 gm/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: 20,637,1982
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Safety Information
| Hazard Codes | Xn |
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| Risk Phrases | R10 |
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| Safety Phrases | S16 |
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| RIDADR | UN 1224 |
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| HS Code | 2914190090 |
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Customs
| HS Code | 2914190090 |
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| Summary | 2914190090 other acyclic ketones without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
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Synonyms
| 5-Methyl-2,3-hexanedione |
| 2,3-Hexanedione, 5-methyl- |
| EINECS 237-241-8 |
| Acetylisovaleryl |
| 5-Methylhexane-2,3-dione |
