Introduction:Basic information about CAS 5585-39-7|(E)-3,7-Dimethyl-2,6-octadienenitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (E)-3,7-Dimethyl-2,6-octadienenitrile |
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| CAS Number | 5585-39-7 | Molecular Weight | 149.23300 |
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| Density | 0.858g/cm3 | Boiling Point | 247.9ºC at 760mmHg |
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| Molecular Formula | C10H15N | Melting Point | / |
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| MSDS | / | Flash Point | 103.7ºC |
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Names
| Name | (E)-3,7-Dimethyl-2,6-octadienenitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.858g/cm3 |
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| Boiling Point | 247.9ºC at 760mmHg |
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| Molecular Formula | C10H15N |
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| Molecular Weight | 149.23300 |
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| Flash Point | 103.7ºC |
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| Exact Mass | 149.12000 |
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| PSA | 23.79000 |
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| LogP | 3.20268 |
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| Index of Refraction | n20/D 1.475(lit.) |
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| InChIKey | HLCSDJLATUNSSI-JXMROGBWSA-N |
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| SMILES | CC(C)=CCCC(C)=CC#N |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- RG5370000
- CHEMICAL NAME :
- 2,6-Octadienenitrile, 3,7-dimethyl-, (E)-
- CAS REGISTRY NUMBER :
- 5585-39-7
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C10-H15-N
- MOLECULAR WEIGHT :
- 149.26
- WISWESSER LINE NOTATION :
- NC1UY1&3UY1&1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3100 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: 14,787,1976
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 4300 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: 14,787,1976 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - E0424 No. of Facilities: 29 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 230 (estimated)
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Safety Information
| Hazard Codes | Xn,N |
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| Risk Phrases | 51/53-68 |
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| RIDADR | UN 3082 9/PG 3 |
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| WGK Germany | 1 |
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Synonyms
| NERAL |
| cis-Citral |
| Citral b |
| 3,7-dimethyl-2,6-octadienonitrile |
| Neroli aldehyde |
| geranylnitrile |
| trans-3,7-dimethyl-2,6-octadienenitrile |
| trans-geranonitrile |