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| CAS No.: | 931-17-9 |
|---|---|
| Name: | 1,2-Cyclohexanediol |
| Article Data: | 486 |
| Molecular Structure: | |
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| Formula: | C6H12O2 |
| Molecular Weight: | 116.16 |
| Synonyms: | 1,2-Benzenediol,hexahydro-;1,2-Dihydroxycyclohexane;2-Hydroxycyclohexanol;NSC 10110;Pyrocatechitol;Cyclohexane-1,2-diol;1,2-Cyclohexanediol (cis- and trans- mixture);Hexahydrocatechol;Grandidentol;2-Hydroxycyclohexanol;Brenzcatechin;Brenzkatechin;AI3-06457;NSC 10110;BRN 2036627; |
| EINECS: | 213-229-8 |
| Density: | 1.156 g/cm3 |
| Melting Point: | 73-77 °C |
| Boiling Point: | 236.7 °C at 760 mmHg |
| Flash Point: | 114.3 °C |
| Solubility: | 6.59E+04 mg/L at 25 °C in water |
| Appearance: | beige crystals |
| Safety: | 24/25-23 |
| PSA: | 40.46000 |
| LogP: | 0.28220 |
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Production
C6H12O2
Specification
This chemical is called 1,2-Cyclohexanediol, and its systematic name is Cyclohexane-1,2-diol. With the CAS registry number of 931-17-9, its molecular weight is 116.1583. In addition, this chemical is beige crystal, and it's stable at the normal temperature and pressure. However, this chemical should be stored in the sealed container which should be kept cool and dry. Especially, keep this chemical far way from strong oxidizer.
Other characteristics of this chemical can be summarised as followings: (1)XLogP3: 0.2; (2)Rotatable Bond Count: 0; (3)Exact Mass: 116.08373; (4)MonoIsotopic Mass: 116.08373; (5)Topological Polar Surface Area: 40.5; (6)Heavy Atom Count: 8; (7)Formal Charge: 0; (8)Complexity: 62.9; (9)Isotope Atom Count: 0; (10)Defined Atom StereoCenter Count: 0; (11)Undefined Atom StereoCenter Count: 2; (12)Defined Bond StereoCenter Count: 0; (13)Undefined Bond StereoCenter Count: 0; (14)Covalently-Bonded Unit Count: 1; (15)ACD/LogP: 0.15; (16)# of Rule of 5 Violations: 0; (17)ACD/LogD (pH 5.5): 0.15; (18)ACD/LogD (pH 7.4): 0.15; (19)ACD/BCF (pH 5.5): 1; (20)ACD/BCF (pH 7.4): 1; (21)ACD/KOC (pH 5.5): 28.89; (22)ACD/KOC (pH 7.4): 28.89; (23)#H bond acceptors: 2; (24)#H bond donors: 2; (25)#Freely Rotating Bonds: 2; (26)Polar Surface Area: 18.46 Å2; (27)Index of Refraction: 1.526; (28)Molar Refractivity: 30.85 cm3; (29)Molar Volume: 100.4 cm3; (30)Polarizability: 12.23×10-24cm3; (31)Surface Tension: 40.7 dyne/cm; (32)Density: 1.156 g/cm3; (33)Flash Point: 114.3 °C; (34)Enthalpy of Vaporization: 55.04 kJ/mol; (35)Boiling Point: 236.7 °C at 760 mmHg; (36)Vapour Pressure: 0.00839 mmHg at 25°C.
Preparation of this chemical: The Cyclohexane-1,2-diol could be obtained by the reactant cyclohexene, the reagents dodecyl sulfate, NaOH, NaCl, KMnO4, and the solvent H2O. In addition, this reaction should be taken at the temperature of 25°C.
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Uses of this chemical: The Cyclohexa-1,3-diene could be obtained by the reactant Cyclohexane-1,2-diol and the reagent copper(II) triflate. In addition, the yield is 35 %.
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When you are using this chemical, please be cautious about it as the following: The 1,2-Cyclohexanediol is toxic, please avoid contacting with skin and eyes and do not breathe its vapour.
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | subcutaneous | 108mg/kg (108mg/kg) | Zeitschrift fuer die Gesamte Innere Medizin und Ihre Grenzgebiete. Vol. 2, Pg. 333, 1947. |