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31983-27-4

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Basic Information
CAS No.: 31983-27-4
Name: 3,7-DIMETHYL-2,6-OCTADIENENITRILE
Article Data: 10
Molecular Structure:
Molecular Structure of 31983-27-4 (3,7-DIMETHYL-2,6-OCTADIENENITRILE)
Formula: C10H15N
Molecular Weight: 149.236
Synonyms: 2,6-Octadienenitrile,3,7-dimethyl-, (Z)- (8CI);(Z)-3,7-Dimethyl-2,6-octadienenitrile;
EINECS: 250-883-3
Density: 0.858 g/cm3
Boiling Point: 247.9 °C at 760 mmHg
Flash Point: 103.7 °C
Appearance: Colourless to pale yellow oily liquid
Hazard Symbols: HarmfulXnDangerousN
Risk Codes: 51/53-68
Safety: 36/37-61
Transport Information: UN 3082 9/PG 3
PSA: 23.79000
LogP: 3.20268
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Specification

The cas register number of (Z)-3,7-Dimethyl-2,6-octadienenitrile is 31983-27-4. It also can be called as cis-3,7-Dimethyl-2,6-octadienenitrile and the IUPAC Name about this chemical is (2Z)-3,7-dimethylocta-2,6-dienenitrile.

Physical properties about (Z)-3,7-Dimethyl-2,6-octadienenitrile are: (1)ACD/LogP: 3.37; (2)ACD/LogD (pH 5.5): 3.37; (3)ACD/LogD (pH 7.4): 3.37; (4)ACD/BCF (pH 5.5): 213.56; (5)ACD/BCF (pH 7.4): 213.56; (6)ACD/KOC (pH 5.5): 1618.35; (7)ACD/KOC (pH 7.4): 1618.35; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 23.79Å2; (11)Index of Refraction: 1.465; (12)Molar Refractivity: 48.09 cm3; (13)Molar Volume: 173.8 cm3; (14)Polarizability: 19.06x10-24cm3; (15)Surface Tension: 29.4 dyne/cm; (16)Enthalpy of Vaporization: 48.51 kJ/mol; (17)Vapour Pressure: 0.025 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment, it also has possible risk of irreversible effects. When you are using it, wear suitable protective clothing and gloves, and also avoid release to the environment. Refer to special instructions / safety data sheets. 

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=CCCC(=CC#N)C)C
(2)Isomeric SMILES: CC(=CCC/C(=C\C#N)/C)C
(3)InChI: InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3/b10-7-
(4)InChIKey: HLCSDJLATUNSSI-YFHOEESVSA-N