CAS No.16736-42-8,GERANIOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16736-42-8
Name:	GERANIOL
Article Data:	56

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

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Specification

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