Introduction：Basic information about CAS 55764-28-8|S-(2,5-dimethyl-3-furyl) 3-methylbutanethioate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | S-(2,5-dimethyl-3-furyl) 3-methylbutanethioate |
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| CAS Number | 55764-28-8 | Molecular Weight | 212.30900 |
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| Density | 1.07 g/cm3 | Boiling Point | 277ºC at 760 mmHg |
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| Molecular Formula | C11H16O2S | Melting Point | / |
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| MSDS | / | Flash Point | 121.3ºC |
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Names
| Name | S-(2,5-dimethylfuran-3-yl) 3-methylbutanethioate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.07 g/cm3 |
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| Boiling Point | 277ºC at 760 mmHg |
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| Molecular Formula | C11H16O2S |
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| Molecular Weight | 212.30900 |
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| Flash Point | 121.3ºC |
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| Exact Mass | 212.08700 |
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| PSA | 55.51000 |
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| LogP | 3.56120 |
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| Index of Refraction | 1.514 |
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| InChIKey | XFNLWIPNTYNNJX-UHFFFAOYSA-N |
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| SMILES | Cc1cc(SC(=O)CC(C)C)c(C)o1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NY1515000
- CHEMICAL NAME :
- Isovaleric acid, thio-, S-2,5-dimethyl-3-furyl ester
- CAS REGISTRY NUMBER :
- 55764-28-8
- LAST UPDATED :
- 198609
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C11-H16-O2-S
- MOLECULAR WEIGHT :
- 212.33
- WISWESSER LINE NOTATION :
- T5OJ B1 CSV1Y1&1 E1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 625 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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Synonyms
| EINECS 259-802-6 |
| ISOVALERIC ACID,THIO-,S-2,5-DIMETHYL-3-FURYL ESTER |
| FEMA No. 3482 |
| 2,5-Dimethyl-3-thioisovalerylfuran |
