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| CAS No.: | 501-94-0 |
|---|---|
| Name: | 4-Hydroxyphenethyl alcohol |
| Article Data: | 94 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H10O2 |
| Molecular Weight: | 138.166 |
| Synonyms: | Phenethylalcohol, p-hydroxy- (7CI,8CI);Tyrosol (6CI);2-(4-Hydroxyphenyl)ethanol;2-(4-Hydroxyphenyl)ethyl alcohol;2-(p-Hydroxyphenyl)ethanol;4-(2-Hydroxyethyl)phenol;Benzeneethanol,4-hydroxy-;NSC 59876;Tyrosol C;p-(2-Hydroxyethyl)phenol;p-HPEA;p-Hydroxyphenethylalcohol;p-Tyrosol;b-(4-Hydroxyphenyl)ethanol;b-(p-Hydroxyphenyl)ethanol;4-Hydroxyphenylethanol; |
| EINECS: | 207-930-8 |
| Density: | 1.168 g/cm3 |
| Melting Point: | 89-92 °C(lit.) |
| Boiling Point: | 287.8 °C at 760 mmHg |
| Flash Point: | 143.2 °C |
| Solubility: | slightly soluble in water |
| Appearance: | off-white to light beige crystals or crystalline |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39-24/25-36 |
| PSA: | 40.46000 |
| LogP: | 0.92700 |
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| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; Trimethyl borate; dimethyl sulfate In tetrahydrofuran at 20℃; for 1.5h; | 98% |
| With sodium tetrahydroborate; iodine In tetrahydrofuran for 2h; Heating; | 88% |
| With lithium aluminium tetrahydride In tetrahydrofuran at 67℃; for 2.5h; | 88% |
| Conditions | Yield |
|---|---|
| With β-D-glucose; oxygen for 18h; Reagent/catalyst; Enzymatic reaction; | A n/a B 97.3% |
- 501-94-0
p-hydroxyphenethyl alcohol
| Conditions | Yield |
|---|---|
| With methanol; iodine at 50℃; for 3.5h; | 96% |
- 501-94-0
p-hydroxyphenethyl alcohol
| Conditions | Yield |
|---|---|
| With methanol; iodine at 50℃; for 48h; | 96% |
- 96013-68-2
tert-butyl(4-(2-(tert-butyldimethylsilyloxy)ethyl)phenoxy)dimethylsilane
- 501-94-0
p-hydroxyphenethyl alcohol
| Conditions | Yield |
|---|---|
| With methanol; trimethylsilyl bromide at 20℃; for 5h; chemoselective reaction; | 95% |
| With antimonypentachloride; water In acetonitrile at 20℃; for 0.166667h; | 92% |
| With iron(III) p-toluenesulfonate hexahydrate In methanol for 26.25h; Reflux; | 84% |
- 501-94-0
p-hydroxyphenethyl alcohol
| Conditions | Yield |
|---|---|
| With methanol; iodine at 50℃; for 10h; | 95% |
- 501-94-0
p-hydroxyphenethyl alcohol
| Conditions | Yield |
|---|---|
| With methanol; iodine at 50℃; for 34h; | 94% |
- 14199-15-6
Methyl 4-hydroxyphenylacetate
- 501-94-0
p-hydroxyphenethyl alcohol
| Conditions | Yield |
|---|---|
| With methanol; Na/SiO2 In tetrahydrofuran at 0 - 25℃; Bouveault-Blanc reduction; Inert atmosphere; | 93% |
| With 5 wt% Re/TiO2; hydrogen In octane at 200℃; under 37503.8 Torr; for 24h; Autoclave; chemoselective reaction; | 91% |
| With sodium tetrahydroborate In water for 8h; Ambient temperature; | 90% |
- 14140-15-9
4-(2-bromoethyl)phenol
- 501-94-0
p-hydroxyphenethyl alcohol
| Conditions | Yield |
|---|---|
| Stage #1: 4-(2-bromoethyl)phenol With sodium acetate In water for 3h; Reflux; Stage #2: With sodium hydroxide In water for 0.5h; Inert atmosphere; Reflux; | 88% |
| Conditions | Yield |
|---|---|
| With magnesium In methanol at 20℃; for 10h; | A 83% B n/a |
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Chemistry
Molecule structure of 4-Hydroxyphenethyl alcohol (CAS NO.501-94-0):
IUPAC Name: 4-(2-Hydroxyethyl)phenol
Molecular Weight: 138.1638 g/mol
Molecular Formula: C8H10O2
Density: 1.168 g/cm3
Melting Point: 89-92 °C(lit.)
Boiling Point: 287.8 °C at 760 mmHg
Flash Point: 143.2 °C
Index of Refraction: 1.577
Molar Refractivity: 39.21 cm3
Molar Volume: 118.1 cm3
Surface Tension: 50.8 dyne/cm
Enthalpy of Vaporization: 55.66 kJ/mol
Vapour Pressure: 0.00113 mmHg at 25 °C
Water Solubility: slightly soluble
XLogP3: 0.4
H-Bond Donor: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Tautomer Count: 2
Exact Mass: 138.06808
MonoIsotopic Mass: 138.06808
Topological Polar Surface Area: 40.5
Heavy Atom Count: 10
Canonical SMILES: C1=CC(=CC=C1CCO)O
InChI: InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2
InChIKey: YCCILVSKPBXVIP-UHFFFAOYSA-N
EINECS: 207-930-8
Product Categories: Alcohols and Derivatives; Benzhydrols, Benzyl & Special Alcohols; Benzene derivates; Alkohols; API intermediates
Uses
4-Hydroxyphenethyl alcohol (CAS NO.501-94-0) is used as pharmaceutical intermediates.
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39-24/25-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
S24/25:Avoid contact with skin and eyes.
S36:Wear suitable protective clothing.
WGK Germany: 3
F: 10
Hazard Note: Irritant
HS Code: 29072900
Specification
4-Hydroxyphenethyl alcohol (CAS NO.501-94-0) is also named as 2-(4-Hydroxyphenyl)ethanol ; NSC 59876 ; p-Hydroxyphenethyl alcohol ; 4-Hydroxyphenethyl alcohol ; Benzeneethanol, 4-hydroxy- . 4-Hydroxyphenethyl alcohol (CAS NO.501-94-0) is off-white to light beige crystals or crystalline.
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