-
Name
(E)-3,7-Dimethyl-2,6-octadienenitrile
- EINECS 226-982-2
- CAS No. 5585-39-7
- Article Data25
- CAS DataBase
- Density 0.858g/cm3
- Solubility
- Melting Point
- Formula C10H15 N
- Boiling Point 247.9°Cat760mmHg
- Molecular Weight 149.236
- Flash Point 103.7°C
- Transport Information
- Appearance Colourless to pale yellow oily liquid
- Safety Moderately toxic by ingestion. Mildly toxic by skin contact. A combustible liquid. When heated to decomposition it emits toxic fumes of NOx and CN−. See also NITRILES.
- Risk Codes 51/53-68
-
Molecular Structure
-
Hazard Symbols
Xn,
N
- Synonyms 2,6-Octadienenitrile,3,7-dimethyl-, (E)- (8CI); Geranonitrile (6CI);(E)-3,7-Dimethyl-2,6-octadienenitrile
- PSA 23.79000
- LogP 3.20268
(E)-3,7-Dimethyl-2,6-octadienenitrile Chemical Properties
Product Name: 2,6-Octadienenitrile, 3,7-dimethyl-, (2E)-
CAS Registry Number: 5585-39-7
Synonyms: (E)-3,7-Dimethyl-2,6-octadienenitrile ; EINECS 226-982-2 ; Geranonitrile ; Geranyl nitrile ; 2,6-Octadienenitrile, 3,7-dimethyl-, (2E)- ; 2,6-Octadienenitrile, 3,7-dimethyl-, (E)-
IUPAC Name: 3,7-dimethylocta-2,6-dienenitrile
Molecular Weight: 149.2328 [g/mol]
Molecular Formula: C10H15N
XLogP3-AA: 3.3
H-Bond Donor: 0
H-Bond Acceptor: 1
Surface Tension: 29.4 dyne/cm
Density: 0.858 g/cm3
Refractive index: n20/D 1.475(lit.)
Flash Point: 103.7 °C
Enthalpy of Vaporization: 48.51 kJ/mol
Boiling Point: 247.9 °C at 760 mmHg
Vapour Pressure: 0.025 mmHg at 25°C
Following is the molecular structure of 2,6-Octadienenitrile, 3,7-dimethyl-, (2E)- (CAS NO.5585-39-7) is:
(E)-3,7-Dimethyl-2,6-octadienenitrile Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | 4300mg/kg (4300mg/kg) | Food and Cosmetics Toxicology. Vol. 14, Pg. 787, 1976. | |
| rat | LD50 | oral | 3100mg/kg (3100mg/kg) | Food and Cosmetics Toxicology. Vol. 14, Pg. 787, 1976. |
(E)-3,7-Dimethyl-2,6-octadienenitrile Consensus Reports
Reported in EPA TSCA Inventory. Cyanide and its compounds are on the Community Right-To-Know List.
(E)-3,7-Dimethyl-2,6-octadienenitrile Safety Profile
Safty information about 2,6-Octadienenitrile, 3,7-dimethyl-, (2E)- (CAS NO.5585-39-7) is:
Moderately toxic by ingestion. Mildly toxic by skin contact. A combustible liquid. When heated to decomposition it emits toxic fumes of NOx and CN−.
Hazard Codes:
Xn
N
Risk Statements:
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R68:Possible risk of irreversible effects.
Safety Statements:
S36/37:Wear suitable protective clothing and gloves.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN 3082 9/PG 3
WGK Germany: 1
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