CAS No.83926-73-2,Cyclohexanepropanol,2,2-dimethyl- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	83926-73-2
Name:	Cyclohexanepropanol,2,2-dimethyl-
Article Data:	5

Formula:	C₁₁H₂₂O
Molecular Weight:	170.295
Synonyms:	α,α-Dimethylcyclohexanepropanol;
EINECS:	420-630-3
Density:	0.891 g/cm³
Boiling Point:	222.305 °C at 760 mmHg
Flash Point:	94.469 °C
Hazard Symbols:	Xi,N
Risk Codes:	41-51/53
Safety:	26-39-61
PSA:	20.23000
LogP:	3.11780

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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