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| CAS No.: | 620-24-6 |
|---|---|
| Name: | 3-Hydroxybenzyl alcohol |
| Molecular Structure: | |
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|
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| Formula: | C7H8O2 |
| Molecular Weight: | 124.139 |
| Synonyms: | Benzylalcohol, m-hydroxy- (6CI,7CI,8CI);3-(Hydroxymethyl)phenol;3-Hydroxybenzenemethanol;KSD 2405;NSC 60735;m-Hydroxybenzyl alcohol; |
| EINECS: | 210-633-6 |
| Density: | 1.221 g/cm3 |
| Melting Point: | 69-72 °C(lit.) |
| Boiling Point: | 289.153 °C at 760 mmHg |
| Flash Point: | 147.335 °C |
| Solubility: | soluble in water |
| Appearance: | pink or beige to brown crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38-41 |
| Safety: | 26-36/39 |
| PSA: | 40.46000 |
| LogP: | 0.88450 |
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| Conditions | Yield |
|---|---|
| With N-methylpyrrolidine zinc borohydride In tetrahydrofuran at 20℃; for 0.25h; | 100% |
| With sodium tetrahydroborate In ethanol at 0℃; for 1h; Inert atmosphere; | 100% |
| With sodium tetrahydroborate In ethanol at 0℃; for 1h; Inert atmosphere; | 100% |
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; Trimethyl borate; dimethyl sulfate In tetrahydrofuran at 20℃; for 4.5h; | 97% |
| Stage #1: 3-Carboxyphenol With 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane at 20℃; for 11h; Inert atmosphere; Stage #2: With silica gel In methanol at 50℃; for 3h; | 92% |
| In sulfuric acid; water at 50℃; Product distribution; electroreduction; further reduction potentials, temperatures, electrolytes, cathodes; | 90% |
| Conditions | Yield |
|---|---|
| With aluminum (III) chloride; sodium tetrahydroborate In tetrahydrofuran at 70℃; for 12h; Reagent/catalyst; Inert atmosphere; | 91% |
- 620-24-6
3-Hydroxybenzyl alcohol
| Conditions | Yield |
|---|---|
| With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In methanol for 12h; Heating; | 90% |
- 19438-10-9
methyl 3-hydroxybenzoate
- 620-24-6
3-Hydroxybenzyl alcohol
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride In 2-methyltetrahydrofuran at -15 - 20℃; for 24.16h; | 86% |
| With sodium tetrahydroborate In water for 24h; Ambient temperature; | 60% |
| Conditions | Yield |
|---|---|
| With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In methanol at 20℃; for 2h; | A 5% B 85% |
- 57455-06-8
3-iodobenzylalcohol
- 620-24-6
3-Hydroxybenzyl alcohol
| Conditions | Yield |
|---|---|
| Stage #1: 3-iodobenzylalcohol With copper(l) iodide; 1,10-Phenanthroline; potassium hydroxide In water; dimethyl sulfoxide at 20 - 100℃; Inert atmosphere; Stage #2: With hydrogenchloride In water; dimethyl sulfoxide at 20℃; Inert atmosphere; | 84% |
| With copper(l) iodide; 8-quinolinol; potassium hydroxide In water; dimethyl sulfoxide; tert-butyl alcohol at 100℃; for 48h; Inert atmosphere; | 63% |
- 15852-73-0
(3-Bromophenyl)methanol
- 620-24-6
3-Hydroxybenzyl alcohol
| Conditions | Yield |
|---|---|
| Stage #1: (3-Bromophenyl)methanol With copper(l) iodide; cesium hydroxide; 5-bromo-2-(1H-imidazol-2-yl)pyridine In water; dimethyl sulfoxide; tert-butyl alcohol at 120℃; for 36h; Inert atmosphere; Stage #2: With hydrogenchloride In water; dimethyl sulfoxide; tert-butyl alcohol pH=1 - 2; Inert atmosphere; | 83% |
- 134390-31-1
(3-hydroxyphenyl)methyl 2-nitrobenzenesulfenate
- 620-24-6
3-Hydroxybenzyl alcohol
| Conditions | Yield |
|---|---|
| With piperidine In acetonitrile for 2h; Ambient temperature; | 74% |
| Conditions | Yield |
|---|---|
| With sodium carbonate; bis(dibenzylideneacetone)-palladium(0); ruphos In 1,4-dioxane; water for 36h; Suzuki-Miyaura cross-coupling; Inert atmosphere; Reflux; | 61.8% |
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Specification
The Benzenemethanol, 3-hydroxy-, with the CAS registry number of 620-24-6, is also known as Benzyl alcohol, m-hydroxy- and 3-Hydroxybenzyl alcohol. It belongs to the product categories of Benzhydrols, Benzyl & Special Alcohols; Alcohols; C7 to C8; Oxygen Compounds. Its EINECS registry number is 210-633-6. This chemical's molecular formula is C7H8O2 and molecular weight is 124.14. What's more, its IUPAC name is 3-(Hydroxymethyl)phenol. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should avoid contact with oxidant.
Physical properties about Benzenemethanol, 3-hydroxy- are: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.502; (4)ACD/LogD (pH 7.4): 0.5; (5)ACD/BCF (pH 5.5): 1.418; (6)ACD/BCF (pH 7.4): 1.412; (7)ACD/KOC (pH 5.5): 44.681; (8)ACD/KOC (pH 7.4): 44.496; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 40.46 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 34.586 cm3; (15)Molar Volume: 101.68 cm3; (16)Polarizability: 13.711×10-24 cm3; (17)Surface Tension: 54.153 dyne/cm; (18)Density: 1.221 g/cm3; (19)Flash Point: 147.335 °C; (20)Enthalpy of Vaporization: 55.81 kJ/mol; (21)Boiling Point: 289.153 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C; (23)Melting Point: 69-72 °C(lit. ).
Preparation: this chemical is prepared by 3-Hydroxy-benzaldehyde. The reaction needs reagent N-Methylpyrrolidine•Zn(BH4)2 and solvent Tetrahydrofuran. Other condition of this reaction is reaction time of 15 minutes at 20 °C. The yield is about 100 %.
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Uses: it is used to produce other chemicals. For example, it is used to produce 3-Oxy-1'-acetoxy-1-methyl-benzol. The reaction time is 4 hours. The yield is about 100 %.
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When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. And it has the risk of serious damage to eyes. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing 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(cc(c1)O)CO
(2) InChI: InChI=1/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2
(3) InChIKey: OKVJCVWFVRATSG-UHFFFAOYAA