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CAS No.: | 16736-42-8 |
---|---|
Name: | GERANIOL |
Article Data: | 56 |
Molecular Structure: | |
Formula: | C10H18 |
Molecular Weight: | 138.253 |
Synonyms: | 2,7-Dimethyl-2,6-octadiene; |
EINECS: | 203-377-1 |
Density: | 0.766 g/cm3 |
Melting Point: | -15oC |
Boiling Point: | 167.1 °C at 760 mmHg |
Flash Point: | 43.9 °C |
Solubility: | PRACTICALLY INSOLUBLE |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 0.00000 |
LogP: | 3.69900 |
The 2,6-Octadiene,2,7-dimethyl- is an organic compound with the formula C10H18. The IUPAC name of this chemical is 2,7-Dimethylocta-2,6-diene. The CAS registry number of this chemical is 16736-42-8. Besides, it should be stored at 2-8 °C.
Physical properties about 2,6-Octadiene,2,7-dimethyl- are: (1)ACD/LogP: 4.95; (2)ACD/LogD (pH 5.5): 4.95; (3)ACD/LogD (pH 7.4): 4.95; (4)ACD/BCF (pH 5.5): 3402.05; (5)ACD/BCF (pH 7.4): 3402.05; (6)ACD/KOC (pH 5.5): 11738.55; (7)ACD/KOC (pH 7.4): 11738.55; (8)#Freely Rotating Bonds: 3; (9)Index of Refraction: 1.446; (10)Molar Refractivity: 48.17 cm3; (11)Molar Volume: 180.4 cm3; (12)Polarizability: 19.09×10-24 cm3; (13)Surface Tension: 23.3 dyne/cm; (14)Density: 0.766 g/cm3; (15)Flash Point: 43.9 °C; (16)Enthalpy of Vaporization: 38.69 kJ/mol; (17)Boiling Point: 167.1 °C at 760 mmHg; (18)Vapour Pressure: 2.28 mmHg at 25 °C.
Preparation: this chemical can be prepared by 1-bromo-3-methyl-but-2-ene. This reaction will need reagents pyrrolidine; n-BuLi; CuI and solvents tetrahydrofuran; hexane. The reaction time is 15 hours with reaction temperature of -5 °C. The yield is about 21%.
Uses of 2,6-Octadiene,2,7-dimethyl-: it can be used to produce 1-Bromo-2,5-diisopropyl-borolane. It will need reagent monobromoborane-dimethyl sulphide complex and solvent CH2Cl2 with reaction time of 8 hours. The yield is about 76%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C10H18/c1-9(2)7-5-6-8-10(3)4/h7-8H,5-6H2,1-4H3
(2)InChIKey: PSOPUECGKNQIPH-UHFFFAOYAS
(3)Std. InChI: InChI=1S/C10H18/c1-9(2)7-5-6-8-10(3)4/h7-8H,5-6H2,1-4H3
(4)Std. InChIKey: PSOPUECGKNQIPH-UHFFFAOYSA-N