Introduction：Basic information about CAS 61295-41-8|3-(2-Methyl-3-furylthio)-4-heptanone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-(2-Methyl-3-furylthio)-4-heptanone |
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| CAS Number | 61295-41-8 | Molecular Weight | 226.33500 |
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| Density | 1.05g/cm3 | Boiling Point | 293.3ºC at 760mmHg |
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| Molecular Formula | C12H18O2S | Melting Point | / |
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| MSDS | / | Flash Point | 131.2ºC |
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Names
| Name | 3-(2-methylfuran-3-yl)sulfanylheptan-4-one |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.05g/cm3 |
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| Boiling Point | 293.3ºC at 760mmHg |
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| Molecular Formula | C12H18O2S |
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| Molecular Weight | 226.33500 |
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| Flash Point | 131.2ºC |
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| Exact Mass | 226.10300 |
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| PSA | 55.51000 |
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| LogP | 3.82790 |
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| Index of Refraction | 1.51 |
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| InChIKey | GFRRQSASJZMMJC-UHFFFAOYSA-N |
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| SMILES | CCCC(=O)C(CC)Sc1ccoc1C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- MJ7400000
- CHEMICAL NAME :
- 4-Heptanone, 3-((2-methyl-3-furyl)thio)-
- CAS REGISTRY NUMBER :
- 61295-41-8
- LAST UPDATED :
- 198609
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C12-H18-O2-S
- MOLECULAR WEIGHT :
- 226.36
- WISWESSER LINE NOTATION :
- T5OJ B1 CSY2&V3
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 425 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 3,249,1980
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Safety Information
Customs
| HS Code | 2932190090 |
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| Summary | 2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0% |
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Synonyms
| FEMA No. 3570 |
| EINECS 262-690-1 |
| 1,3-Diethylacetonyl 3-methyl-3-furyl sulfide |
