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Cyclohexanepropanol, a,a-dimethyl-

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Name

Cyclohexanepropanol, a,a-dimethyl-

EINECS 420-630-3
CAS No. 83926-73-2 Density 0.891 g/cm3
PSA 20.23000 LogP 3.11780
Solubility N/A Melting Point N/A
Formula C11H22O Boiling Point 222.305 °C at 760 mmHg
Molecular Weight 170.295 Flash Point 94.469 °C
Transport Information N/A Appearance N/A
Safety 26-39-61 Risk Codes 41-51/53
Molecular Structure Molecular Structure of 83926-73-2 (Cyclohexanepropanol,2,2-dimethyl-) Hazard Symbols IrritantXi,DangerousN
Synonyms

α,α-Dimethylcyclohexanepropanol;

Article Data 5

Cyclohexanepropanol, a,a-dimethyl- Specification

The Cyclohexanepropanol, a,a-dimethyl-, with the CAS registry number 83926-73-2, is also known as α,α-Dimethylcyclohexanepropanol. Its EINECS registry number is 420-630-3. This chemical's molecular formula is C11H22O and molecular weight is 170.29178. What's more, its systematic name is 4-Cyclohexyl-2-methylbutan-2-ol.

Physical properties about Cyclohexanepropanol, a,a-dimethyl- are: (1) ACD/LogP: 3.58; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 4; (4) ACD/LogD (pH 7.4): 4; (5) ACD/BCF (pH 5.5): 339; (6) ACD/BCF (pH 7.4): 339; (7) ACD/KOC (pH 5.5): 2252; (8) ACD/KOC (pH 7.4): 2252; (9) #H bond acceptors: 1; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 20.23 Å2; (13) Index of Refraction: 1.461; (14) Molar Refractivity: 52.396 cm3; (15) Molar Volume: 191.1 cm3; (16) Polarizability: 20.772×10-24 cm3; (17) Surface Tension: 32.291 dyne/cm; (18) Density: 0.891 g/cm3; (19) Flash Point: 94.469 °C; (20) Enthalpy of Vaporization: 53.344 kJ/mol; (21) Boiling Point: 222.305 °C at 760 mmHg; (22) Vapour Pressure: 0.021 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In addition, it is risk of serious damage to eyes. Therefore, you should obtain special instructions before use it and avoid releasing to the environment. What's more, you should wear 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: CC(C)(O)CCC1CCCCC1
(2) InChI: InChI=1/C11H22O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h10,12H,3-9H2,1-2H3
(3) InChIKey: KZZASWGRLOTITL-UHFFFAOYAQ

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