Introduction：Basic information about CAS 5870-93-9|heptyl butyrate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | heptyl butyrate |
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| CAS Number | 5870-93-9 | Molecular Weight | 186.29100 |
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| Density | 0.864 g/mL at 25ºC(lit.) | Boiling Point | 225-226ºC(lit.) |
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| Molecular Formula | C11H22O2 | Melting Point | -58ºC(lit.) |
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| MSDS | ChineseUSA | Flash Point | 195 °F |
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Names
| Name | heptyl butanoate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.864 g/mL at 25ºC(lit.) |
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| Boiling Point | 225-226ºC(lit.) |
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| Melting Point | -58ºC(lit.) |
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| Molecular Formula | C11H22O2 |
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| Molecular Weight | 186.29100 |
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| Flash Point | 195 °F |
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| Exact Mass | 186.16200 |
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| PSA | 26.30000 |
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| LogP | 3.30010 |
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| Index of Refraction | n20/D 1.4215(lit.) |
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| InChIKey | JPQHLIYIQARLQM-UHFFFAOYSA-N |
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| SMILES | CCCCCCCOC(=O)CCC |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- EK7876000
- CHEMICAL NAME :
- Butanoic acid, heptyl ester
- CAS REGISTRY NUMBER :
- 5870-93-9
- BEILSTEIN REFERENCE NO. :
- 1760253
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C11-H22-O2
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- 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: 26,333,1988
- 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: 26,333,1988
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Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US) |
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| Hazard Codes | Xn |
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| WGK Germany | 2 |
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| RTECS | EK7876000 |
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Synonyms
| heptyl butyrate |
| EINECS 227-526-5 |
| FEMA No. 2549 |
| Butyric acid,heptyl ester |
| MFCD00048908 |
| Butanoic acid,heptyl ester |
| n-Heptyl-butyrat |
| Buttersaeure-heptylester |
