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| CAS No.: | 2380-78-1 |
|---|---|
| Name: | Homovanillyl alcohol |
| Article Data: | 23 |
| Molecular Structure: | |
|
|
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| Formula: | C9H12O3 |
| Molecular Weight: | 168.192 |
| Synonyms: | Phenethylalcohol, 4-hydroxy-3-methoxy- (6CI,7CI,8CI);2-(3-Methoxy-4-hydroxyphenyl)ethanol;2-(4-Hydroxy-3-methoxyphenyl)ethanol;3-Methoxy-4-hydroxyphenethanol;3-Methoxy-4-hydroxyphenethyl alcohol;4-(2-Hydroxyethyl)-2-methoxyphenol;4-(2-Hydroxyethyl)guaiacol;4-Hydroxy-3-methoxyphenethyl alcohol;Ba 2772;Homovanillic alcohol;Homovanillyl alcohol;Vanillylmethanol; |
| EINECS: | 219-175-1 |
| Density: | 1.182 g/cm3 |
| Melting Point: | 40-42 °C(lit.) |
| Boiling Point: | 316.8 °C at 760 mmHg |
| Flash Point: | 145.4 °C |
| Solubility: | Soluble in water |
| Appearance: | yellow to light brown crystalline chunks |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 49.69000 |
| LogP: | 0.93560 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 240444-70-62,3,5,6-Tetrafluor-4-(methoxymethyl)benzyl-2,2-dimethyl-3-(prop-1-en-1-yl)cyclopropancarboxylat
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 2380-78-1
homovanillyl alcohol
| Conditions | Yield |
|---|---|
| With erbium(III) triflate In ethanol for 50h; Microwave irradiation; | 98% |
| Conditions | Yield |
|---|---|
| Stage #1: 4-allylguaiacol With ozone In ethanol at -55℃; Stage #2: With sodium tetrahydroborate In ethyl acetate at 20℃; | 98% |
| Multi-step reaction with 2 steps 1: ozone / sodium hydrogencarbonate / dichloromethane; methanol / 2 h / -78 °C 2: sodium tetrahydroborate; methanol / dichloromethane / 2 h / -78 - 20 °C / Inert atmosphere View Scheme |
- 124-41-4
sodium methylate
- 196081-78-4
3-bromo-4-hydroxyphenylethyl alcohol
- 2380-78-1
homovanillyl alcohol
| Conditions | Yield |
|---|---|
| With copper(I) bromide In N,N-dimethyl-formamide at 120℃; for 1h; | 97.3% |
| Stage #1: sodium methylate With copper(I) bromide In methanol; N,N-dimethyl-formamide Stage #2: 3-bromo-4-hydroxyphenylethyl alcohol In methanol; N,N-dimethyl-formamide at 100℃; Temperature; | 92% |
| With methanol; copper(I) bromide In N,N-dimethyl-formamide at 90℃; for 3h; | 87.6% |
| With copper(I) bromide In water; N,N-dimethyl-formamide | |
| copper(I) bromide In methanol; N,N-dimethyl-formamide at 120℃; |
- 2380-78-1
homovanillyl alcohol
| Conditions | Yield |
|---|---|
| With erbium(III) triflate In ethanol for 50h; Microwave irradiation; | 94% |
- 1044264-42-7
C21H40O3Si2
- 2380-78-1
homovanillyl alcohol
| Conditions | Yield |
|---|---|
| With methanol; trimethylsilyl bromide at 20℃; for 5h; chemoselective reaction; | 92% |
| Conditions | Yield |
|---|---|
| With β-D-glucose; oxygen In aq. phosphate buffer at 37℃; for 18h; pH=7.0; Enzymatic reaction; | 91.9% |
| Multi-step reaction with 4 steps 1: Bacillus licheniformis strain CGMCC 7172 phenolic acid decarboxylase / 6 h / Enzymatic reaction 2: oxygen; β-D-glucose; styrene monooxygenase (AF031161.1) from Pseudomonas sp. VLB120 / Enzymatic reaction 3: styrene oxide isomerase (KF540254.1) from Rhodococcus opacus 1CP / Enzymatic reaction 4: alcohol dehydrogenase (NC_001145.3) from Saccharomyces cerevisiae S288C View Scheme |
- 64881-05-6
1-<4-(benzyloxy)-3-methoxyphenyl>ethan-2-ol
- 2380-78-1
homovanillyl alcohol
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In methanol under 750.06 Torr; for 1h; | 91% |
- 60563-13-5
ethyl homovanillate
- 2380-78-1
homovanillyl alcohol
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride In tetrahydrofuran at 0℃; for 3h; Inert atmosphere; Reflux; | 89% |
- 67-56-1
methanol
- 94492-22-5
cistanoside C
A
- 2380-78-1
homovanillyl alcohol
B
- 3843-74-1, 67667-67-8
Methyl caffeate
| Conditions | Yield |
|---|---|
| With acetyl chloride for 0.5h; Heating; |
| Conditions | Yield |
|---|---|
| With acetyl chloride for 0.5h; Heating; |
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- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
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Specification
The CAS register number of Homovanillyl alcohol is 2380-78-1. It also can be called as 4-Hydroxy-3-methoxyphenethyl alcohol and the IUPAC name about this chemical is 4-(2-hydroxyethyl)-2-methoxyphenol. It belongs to the following product categories, such as Benzhydrols, Benzyl & Special Alcohols, Alcohols, Anisoles, Alkyloxy Compounds & Phenylacetates, Fluorine Compounds, Bromine Compounds, Iodine Compounds and so on. This chemical is a metabolite of serotonin and norepinephrine.
Physical properties about Homovanillyl alcohol are: (1)ACD/LogP: 0.33; (2)ACD/LogD (pH 5.5): 0.33; (3)ACD/LogD (pH 7.4): 0.33; (4)ACD/BCF (pH 5.5): 1.04; (5)ACD/BCF (pH 7.4): 1.04; (6)ACD/KOC (pH 5.5): 35.9; (7)ACD/KOC (pH 7.4): 35.85; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 27.69Å2; (12)Index of Refraction: 1.558; (13)Molar Refractivity: 45.89 cm3; (14)Molar Volume: 142.1 cm3; (15)Polarizability: 18.19x10-24cm3; (16)Surface Tension: 46.9 dyne/cm; (17)Enthalpy of Vaporization: 58.93 kJ/mol; (18)Boiling Point: 316.8 °C at 760 mmHg; (19)Vapour Pressure: 0.000169 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-benzyloxy-3-methoxyphenethyl alcohol. This reaction will need reagent H2, catalyst 5percent Pd/C and solvent methanol. The reaction time is 1 hour(s) with reaction pressure of 750.06. The yield is about 91 %.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. 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: Oc1ccc(cc1OC)CCO
(2)InChI: InChI=1/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3
(3)InChIKey: XHUBSJRBOQIZNI-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3
(5)Std. InChIKey: XHUBSJRBOQIZNI-UHFFFAOYSA-N