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5585-39-7

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Basic Information
CAS No.: 5585-39-7
Name: (E)-3,7-Dimethyl-2,6-octadienenitrile
Article Data: 25
Molecular Structure:
Molecular Structure of 5585-39-7 ((E)-3,7-Dimethyl-2,6-octadienenitrile)
Formula: C10H15 N
Molecular Weight: 149.236
Synonyms: 2,6-Octadienenitrile,3,7-dimethyl-, (E)- (8CI); Geranonitrile (6CI);(E)-3,7-Dimethyl-2,6-octadienenitrile
EINECS: 226-982-2
Density: 0.858g/cm3
Boiling Point: 247.9°Cat760mmHg
Flash Point: 103.7°C
Appearance: Colourless to pale yellow oily liquid
Hazard Symbols: Xn,N
Risk Codes: 51/53-68
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.
PSA: 23.79000
LogP: 3.20268
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Chemistry

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:

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.

Consensus Reports

Reported in EPA TSCA Inventory. Cyanide and its compounds are on the Community Right-To-Know List.

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:
HarmfulXn
DangerousN
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