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| CAS No.: | 13482-22-9 |
|---|---|
| Name: | 4-HYDROXYCYCLOHEXANONE |
| Article Data: | 94 |
| Molecular Structure: | |
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| Formula: | C6H10O2 |
| Molecular Weight: | 114.144 |
| Synonyms: | p-Hydroxycyclohexanone;Cyclohexanone, 4-hydroxy-;4-Hydroxycyclohexan-1-one;4-Oxocyclohexan-1-ol;AC1LBWOD;Jsp002121;CID543706; |
| Density: | 1.142 g/cm3 |
| Melting Point: | -1 °C |
| Boiling Point: | 226.28 °C at 760 mmHg |
| Flash Point: | 91.392 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 37.30000 |
| LogP: | 0.49040 |
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- 280-53-5
2,3-dioxabicyclo[2.2.2]octane
- 13482-22-9
4-hydroxycyclohexanone
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 20℃; for 72h; Kornblum-DeLaMare rearrangement; | 100% |
| Multi-step reaction with 3 steps 1: 49 percent / n-BuLi / diethyl ether / -78 °C 2: 47 percent / CH2Cl2 / 1 h / 0 - 20 °C 3: 75 percent / potassium t-butoxide / tetrahydrofuran / 0.25 h View Scheme |
- 22428-87-1
4,4-ethylenedioxycyclohexan-1-ol
- 13482-22-9
4-hydroxycyclohexanone
| Conditions | Yield |
|---|---|
| With water; toluene-4-sulfonic acid for 2h; Heating; | 99% |
| With hydrogenchloride In water; acetone at 20℃; for 28h; | 99% |
| With ammonium cerium(IV) nitrate; water In acetonitrile at 60℃; for 0.416667h; pH=8; Hydrolysis; | 92% |
- 150-76-5
4-methoxy-phenol
- 13482-22-9
4-hydroxycyclohexanone
| Conditions | Yield |
|---|---|
| With potassium hydroxide; samarium diiodide In tetrahydrofuran; water for 0.116667h; Ambient temperature; | 97% |
- 637-88-7
1,4-Cyclohexanedione
- 13482-22-9
4-hydroxycyclohexanone
| Conditions | Yield |
|---|---|
| With [(1S,2S)-N-(p-toluensulfonyl)-1,2-diphenylethanediamine](p-cymene)ruthenium (I); formic acid; triethylamine In acetonitrile at 20℃; | 96% |
| With Candida parapsilosis ATCC 7330 whole cells In ethanol; water at 25℃; for 8h; pH=6.8; Microbiological reaction; regioselective reaction; | 63% |
| With sodium tetrahydroborate In methanol at -20℃; | 60% |
| With keto reductases from Lactobacillus kefir; nicotinamide adenine dinucleotide phosphate; isopropyl alcohol In aq. phosphate buffer at 30℃; for 12h; pH=7; Reagent/catalyst; pH-value; Enzymatic reaction; |
| Conditions | Yield |
|---|---|
| With sodium bromate; sodium hydrogensulfite In water; acetonitrile at 20℃; for 6h; Oxidation; | A 1% B 93% |
| With sodium bromate; sodium hydrogensulfite In water; acetonitrile at 20℃; for 2h; Oxidation; | A 78% B 10% |
| With 2O34W9Zn(12-)*W(6+)*3Zn(2+)*2H2O; dihydrogen peroxide In water; acetonitrile at 135℃; under 2250.23 Torr; for 0.25h; Microwave irradiation; | A n/a B 58% |
- 556-48-9
1,4-Cyclohexanediol
- 13482-22-9
4-hydroxycyclohexanone
| Conditions | Yield |
|---|---|
| With sodium bromate; ammonium cerium(IV) nitrate In water; acetonitrile | 92% |
| With sodium bromate; ammonium cerium (IV) nitrate In water; acetonitrile for 2.5h; Reflux; | 91% |
| With calcium hypochlorite; potassium bromide In water; acetic acid at 0℃; for 3h; | 88% |
- 868696-17-7
3-(1-phenyl-vinyl)-1,2,5-trioxa-spiro[5.5]undecan-9-ol
- 13482-22-9
4-hydroxycyclohexanone
| Conditions | Yield |
|---|---|
| With N-benzyl-trimethylammonium hydroxide In tetrahydrofuran at 20℃; for 1h; | 86% |
- 13482-22-9
4-hydroxycyclohexanone
| Conditions | Yield |
|---|---|
| With methanol; Montmorillonite K-10 clay at 20℃; Methanolytic deprotection; | 85% |
- 69125-55-9
4-hydroxy-1-methoxy-1-cyclohexene
- 13482-22-9
4-hydroxycyclohexanone
| Conditions | Yield |
|---|---|
| With hydrogenchloride at 50℃; for 0.75h; | 82% |
- 872891-56-0
succinic acid methyl ester 3-(1-phenylvinyl)-1,2,5-trioxaspiro[5.5]undec-9-yl ester
- 13482-22-9
4-hydroxycyclohexanone
| Conditions | Yield |
|---|---|
| With N-benzyl-trimethylammonium hydroxide In tetrahydrofuran at 20℃; for 1h; | 82% |
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Specification
The 4-Hydroxycyclohexanone with CAS registry number of 13482-22-9 is also known as Cyclohexanone, 4-hydroxy-. The IUPAC name is 4-Hydroxycyclohexan-1-one. It belongs to product categories of Pharmacetical; Miscellaneous. In addition, the formula is C6H10O2 and the molecular weight is 114.14.
Physical properties about 4-Hydroxycyclohexanone are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 5.173; (4)ACD/KOC (pH 7.4): 5.173; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 37.3Å2; (9)Index of Refraction: 1.5; (10)Molar Refractivity: 29.391 cm3; (11)Molar Volume: 99.939 cm3; (12)Polarizability: 11.652×10-24cm3; (13)Surface Tension: 46.399 dyne/cm; (14)Density: 1.142 g/cm3; (15)Flash Point: 91.392 °C; (16)Enthalpy of Vaporization: 53.809 kJ/mol; (17)Boiling Point: 226.28 °C at 760 mmHg; (18)Vapour Pressure: 0.016 mmHg at 25 °C.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. SMILES: C1CC(=O)CCC1OCopyCopied
2. InChI: InChI=1/C6H10O2/c7-5-1-2-6(8)4-3-5/h5,7H,1-4H2 CopyCopied
3. InChIKey: BXBJZYXQHHPVGO-UHFFFAOYAN
4. Std. InChI: InChI=1S/C6H10O2/c7-5-1-2-6(8)4-3-5/h5,7H,1-4H2 CopyCopied
5. Std. InChIKey: BXBJZYXQHHPVGO-UHFFFAOYSA-N