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1,3,5-Cyclohexanetriol

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Name

1,3,5-Cyclohexanetriol

EINECS N/A
CAS No. 2041-15-8 Density 1.356 g/cm3
PSA 60.69000 LogP -0.74700
Solubility N/A Melting Point 245 °C
Formula C6H12O3 Boiling Point 302.1 °C at 760 mmHg
Molecular Weight 132.159 Flash Point 154.2 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2041-15-8 (1,3,5-Cyclohexanetriol) Hazard Symbols N/A
Synonyms

NSC 25143;Phloroglucitol;cyclohexane-1,3,5-triol;

Article Data 4

1,3,5-Cyclohexanetriol Specification

The 1,3,5-Cyclohexanetriol, with the CAS registry number 2041-15-8, has the systematic name and IUPAC name of cyclohexane-1,3,5-triol, and it is also called Phloroglucitol. The molecular formula of the chemical is C6H12O3.

The characteristics of this chemical are as followings: (1)ACD/LogP: -1.70; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 27.69 Å2; (7)Index of Refraction: 1.58; (8)Molar Refractivity: 32.44 cm3; (9)Molar Volume: 97.4 cm3; (10)Polarizability: 12.86×10-24cm3; (11)Surface Tension: 51 dyne/cm; (12)Density: 1.356 g/cm3; (13)Flash Point: 154.2 °C; (14)Enthalpy of Vaporization: 62.89 kJ/mol; (15)Boiling Point: 302.1 °C at 760 mmHg; (16)Vapour Pressure: 9.86E-05 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC1CC(O)CC(O)C1
(2)InChI: InChI=1/C6H12O3/c7-4-1-5(8)3-6(9)2-4/h4-9H,1-3H2
(3)InChIKey: FSDSKERRNURGGO-UHFFFAOYAR

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