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22907-72-8

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Basic Information
CAS No.: 22907-72-8
Name: 1,4-DIISOPROPYLCYCLOHEXANE
Article Data: 1
Molecular Structure:
Molecular Structure of 22907-72-8 (1,4-DIISOPROPYLCYCLOHEXANE)
Formula: C12H24
Molecular Weight: 168.323
Synonyms: Cyclohexane,1,4-diisopropyl- (6CI,7CI,8CI);1,4-Diisopropylcyclohexane;1,4-Bis(methylethyl)cyclohexane;AC1L3I3B;CID140972;ZINC02162310;
Density: 0.798 g/cm3
Boiling Point: 206.6 °C at 760 mmHg
Flash Point: 71 °C
Risk Codes: 11-36/37/38
Safety: 16-26-36/37/39
Transport Information: UN 1993
PSA: 0.00000
LogP: 4.10480
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Specification

The Cyclohexane,1,4-bis(1-methylethyl)- with CAS registry number of 22907-72-8 is also known as 1,4-Bis(methylethyl)cyclohexane. The IUPAC name is 1,4-Di(propan-2-yl)cyclohexane. In addition, the formula is C12H24 and the molecular weight is 168.32. What's more, it should be sealed in cool and dry place.

Physical properties about Cyclohexane,1,4-bis(1-methylethyl)- are: (1)ACD/LogP: 6.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.13; (4)ACD/LogD (pH 7.4): 6.13; (5)ACD/BCF (pH 5.5): 26715.69; (6)ACD/BCF (pH 7.4): 26715.69; (7)ACD/KOC (pH 5.5): 51317.35; (8)ACD/KOC (pH 7.4): 51317.35; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.438; (11)Molar Refractivity: 55.39 cm3; (12)Molar Volume: 210.6 cm3; (13)Surface Tension: 25.3 dyne/cm; (14)Density: 0.798 g/cm3; (15)Flash Point: 71 °C; (16)Enthalpy of Vaporization: 42.48 kJ/mol; (17)Boiling Point: 206.6 °C at 760 mmHg; (18)Vapour Pressure: 0.338 mmHg at 25 °C.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Besides, it is highly flammable. During using it, wear suitable protective clothing, gloves and eye/face protection. Keep away from sources of ignition. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC(C)C1CCC(CC1)C(C)C
2. InChI: InChI=1S/C12H24/c1-9(2)11-5-7-12(8-6-11)10(3)4/h9-12H,5-8H2,1-4H3
3. InChIKey: GMUJGUXGVJZHSK-UHFFFAOYSA-N