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1,3-Cyclohexadiene,1-methyl-4-(1-methylethenyl)-

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Name

1,3-Cyclohexadiene,1-methyl-4-(1-methylethenyl)-

EINECS N/A
CAS No. 18368-95-1 Density 0.868 g/cm3
PSA 0.00000 LogP 3.22900
Solubility N/A Melting Point N/A
Formula C10H14 Boiling Point 196.6 °C at 760 mmHg
Molecular Weight 134.221 Flash Point 54.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 18368-95-1 (p-menthatriene,p-mentha-1,3,8-triene) Hazard Symbols N/A
Synonyms

p-Mentha-1,3,8-triene(6CI,7CI,8CI);1,3,8-p-Menthatriene;p-Menta-1,3,8-triene;1-Methyl-4-prop-1-en-2-ylcyclohexa-1,3-diene;1-Methyl-4-(prop-1-en-2-yl)cyclohexa-1,3-diene;

Article Data 5

1,3-Cyclohexadiene,1-methyl-4-(1-methylethenyl)- Specification

The 1,3-Cyclohexadiene,1-methyl-4-(1-methylethenyl)-, with the CAS registry number 18368-95-1, is also known as p-Menta-1,3,8-triene. This chemical's molecular formula is C10H14 and molecular weight is 134.22. What's more, its systematic name is 1-Methyl-4-(prop-1-en-2-yl)cyclohexa-1,3-diene.

Physical properties of 1,3-Cyclohexadiene,1-methyl-4-(1-methylethenyl)- are: (1)ACD/LogP: 4.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.11; (4)ACD/LogD (pH 7.4): 4.11; (5)ACD/BCF (pH 5.5): 783.01; (6)ACD/BCF (pH 7.4): 783.01; (7)ACD/KOC (pH 5.5): 4101.68; (8)ACD/KOC (pH 7.4): 4101.68; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.493; (13)Molar Refractivity: 44.95 cm3; (14)Molar Volume: 154.5 cm3; (15)Polarizability: 17.82×10-24 cm3; (16)Surface Tension: 27.5 dyne/cm; (17)Density: 0.868 g/cm3; (18)Flash Point: 54.6 °C; (19)Enthalpy of Vaporization: 41.51 kJ/mol; (20)Boiling Point: 196.6 °C at 760 mmHg; (21)Vapour Pressure: 0.555 mmHg at 25°C.

Uses of 1,3-Cyclohexadiene,1-methyl-4-(1-methylethenyl)-: it can be used to produce 1-methyl-4-(1-methylethenyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene. It will need reagents Ca-hypochlorite, NaOH, H2O2 and solvents methanol, H2O with the reaction time of 24 hours. The yield is about 31%.

1,3-Cyclohexadiene,1-methyl-4-(1-methylethenyl)- can be used to produce 1-methyl-4-(1-methylethenyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=C(CC1)C(=C)C
(2)InChI: InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4,6H,1,5,7H2,2-3H3
(3)InChIKey: XNMPFDIYAMOYRM-UHFFFAOYSA-N

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