Introduction:Basic information about CAS 51566-62-2|Citronellyl nitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Citronellyl nitrile |
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| CAS Number | 51566-62-2 | Molecular Weight | 151.24900 |
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| Density | 0.836 g/cm3 | Boiling Point | 229 - 230ºC |
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| Molecular Formula | C10H17N | Melting Point | 15ºC |
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| MSDS | / | Flash Point | 229 - 230ºC |
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Names
| Name | 3,7-dimethyloct-6-enenitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.836 g/cm3 |
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| Boiling Point | 229 - 230ºC |
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| Melting Point | 15ºC |
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| Molecular Formula | C10H17N |
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| Molecular Weight | 151.24900 |
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| Flash Point | 229 - 230ºC |
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| Exact Mass | 151.13600 |
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| PSA | 23.79000 |
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| LogP | 3.28258 |
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| Index of Refraction | 1.445 |
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| InChIKey | MTDAKBBUYMYKAR-UHFFFAOYSA-N |
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| SMILES | CC(C)=CCCC(C)CC#N |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- RH2250000
- CHEMICAL NAME :
- 6-Octenenitrile, 3,7-dimethyl-
- CAS REGISTRY NUMBER :
- 51566-62-2
- LAST UPDATED :
- 199701
- WISWESSER LINE NOTATION :
- NC1Y1&3UY1&1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,525,1979 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 5300 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,525,1979
- 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 :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,525,1979
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Safety Information
| Hazard Codes | Xi |
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| HS Code | 2926909090 |
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Customs
| HS Code | 2926909090 |
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| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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Synonyms
| 6-OCTENENITRILE,3,7-DIMETHYL |
| 3,7-dimethyl-6-octenonitrile |
| 3,7-Dimethyl-6-octene-1-nitrile |
| 3,7-dimethyl-6-octenylnitrile |
| Citronellonitrile |
| citronellyl nitrile |
| 3,7-dimethyl-6-octenenitrile |
| MFCD00072204 |
| EINECS 257-288-8 |