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Cyclohexane,1,2,4-triethenyl-

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Name

Cyclohexane,1,2,4-triethenyl-

EINECS 220-668-9
CAS No. 2855-27-8 Density 0.96 g/cm3
PSA 0.00000 LogP 3.57690
Solubility 350μg/L at 20℃ Melting Point <-60°C
Formula C12H18 Boiling Point 198.4 °C at 760 mmHg
Molecular Weight 162.275 Flash Point 68.9 °C
Transport Information N/A Appearance Clear colourless to slightly yellow liquid
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2855-27-8 (1,2,4-TRIVINYLCYCLOHEXANE) Hazard Symbols IrritantXi
Synonyms

Cyclohexane,1,2,4-trivinyl- (6CI,7CI,8CI);1,2,4-Trivinylcyclohexane;NSC 78467;

Article Data 6

Cyclohexane,1,2,4-triethenyl- Specification

The Cyclohexane,1,2,4-triethenyl-, with CAS registry number 2855-27-8, belongs to the following product categories: (1)Acyclic; (2)Alkenes; (3)Organic Building Blocks. It has the systematic name of 1,2,4-triethenylcyclohexane. This chemical is a kind of clear colourless to slightly yellow liquid. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. And the chemical formula of this chemical is C12H18. What's more, its EINECS is 220-668-9.

Physical properties of Cyclohexane,1,2,4-triethenyl-: (1)ACD/LogP: 4.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.98; (4)ACD/LogD (pH 7.4): 4.98; (5)ACD/BCF (pH 5.5): 3608.48; (6)ACD/BCF (pH 7.4): 3608.48; (7)ACD/KOC (pH 5.5): 12244.11; (8)ACD/KOC (pH 7.4): 12244.11; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 60.01 cm3; (15)Molar Volume: 169 cm3; (16)Polarizability: 23.79×10-24cm3; (17)Surface Tension: 32.8 dyne/cm; (18)Density: 0.96 g/cm3; (19)Flash Point: 68.9 °C; (20)Enthalpy of Vaporization: 41.68 kJ/mol; (21)Boiling Point: 198.4 °C at 760 mmHg; (22)Vapour Pressure: 0.508 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Cyclohexane,1,2,4-triethenyl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: C(=C)\C1C(\C=C)CCC(\C=C)C1
(2)InChI: InChI=1/C12H18/c1-4-10-7-8-11(5-2)12(6-3)9-10/h4-6,10-12H,1-3,7-9H2
(3)InChIKey: KTRQRAQRHBLCSQ-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C12H18/c1-4-10-7-8-11(5-2)12(6-3)9-10/h4-6,10-12H,1-3,7-9H2
(5)Std. InChIKey: KTRQRAQRHBLCSQ-UHFFFAOYSA-N

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