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Cyclohexanol,4-(1,1-dimethylpropyl)-, trans-

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Name

Cyclohexanol,4-(1,1-dimethylpropyl)-, trans-

EINECS N/A
CAS No. 20698-30-0 Density 0.914 g/cm3
PSA 20.23000 LogP 2.97370
Solubility N/A Melting Point 24-27 °C
Formula C11H22O Boiling Point 223.2 °C at 760 mmHg
Molecular Weight 170.295 Flash Point 90.5 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 20698-30-0 (Cyclohexanol,4-(1,1-dimethylpropyl)-, trans-) Hazard Symbols N/A
Synonyms

Cyclohexanol,4-tert-pentyl-, trans- (8CI);trans-4-tert-Amylcyclohexanol;

Article Data 4

Cyclohexanol,4-(1,1-dimethylpropyl)-, trans- Specification

The Cyclohexanol,4-(1,1-dimethylpropyl)-, trans-, with the CAS registry number 20698-30-0, is also known as Cyclohexanol,4-tert-pentyl-, trans- (8CI) and trans-4-tert-Amylcyclohexanol. This chemical's molecular formula is C11H22O and molecular weight is 170.2918. What's more, its systematic name is trans-4-(1,1-Dimethylpropyl)cyclohexanol.

Physical properties about Cyclohexanol,4-(1,1-dimethylpropyl)-, trans- are: (1) ACD/LogP: 3.59; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.59; (4) ACD/LogD (pH 7.4): 3.59; (5) ACD/BCF (pH 5.5): 316.4; (6) ACD/BCF (pH 7.4): 316.4; (7) ACD/KOC (pH 5.5): 2144.25; (8) ACD/KOC (pH 7.4): 2144.25; (9) #H bond acceptors: 1; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 20.23 Å2; (13) Index of Refraction: 1.47; (14) Molar Refractivity: 52.08 cm3; (15) Molar Volume: 186.1 cm3; (16) Polarizability: 20.64×10-24 cm3; (17) Surface Tension: 34.1 dyne/cm; (18) Density: 0.914 g/cm3; (19) Flash Point: 90.5 °C; (20) Enthalpy of Vaporization: 53.45 kJ/mol ; (21) Boiling Point: 223.2 °C at 760 mmHg; (22) Vapour Pressure: 0.0198 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O[C@H]1CC[C@@H](CC1)C(C)(C)CC
(2) InChI: InChI=1/C11H22O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h9-10,12H,4-8H2,1-3H3/t9-,10-
(3) InChIKey: VDQZABQVXYELSI-MGCOHNPYBC

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