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| CAS No.: | 836-43-1 |
|---|---|
| Name: | 4-BENZYLOXYBENZYL ALCOHOL |
| Article Data: | 76 |
| Molecular Structure: | |
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|
|
| Formula: | C14H14O2 |
| Molecular Weight: | 214.264 |
| Synonyms: | Benzylalcohol, p-(benzyloxy)- (6CI,7CI,8CI);(4-Benzyloxyphenyl)methanol;4-(Benzyloxy)benzyl alcohol;4-(Phenylmethoxy)benzenemethanol;NSC 131675;p-Benzyloxybenzyl alcohol; |
| EINECS: | 212-649-9 |
| Density: | 1.139 g/cm3 |
| Melting Point: | 86-87 °C(lit.) |
| Boiling Point: | 371.9 °C at 760 mmHg |
| Flash Point: | 170.6 °C |
| Appearance: | off-white powder |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 22-24/25-36-26 |
| PSA: | 29.46000 |
| LogP: | 2.75790 |
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Specification
The Benzenemethanol,4-(phenylmethoxy)-, with the CAS registry number 836-43-1, is also known as p-Benzyloxybenzyl alcohol. It belongs to the product categories of Benzhydrols, Benzyl & Special Alcohols; Alcohols; C9 to C30; Oxygen Compounds. Its EINECS number is 212-649-9. This chemical's molecular formula is C14H14O2 and molecular weight is 214.26. What's more, its systematic name is [4-(benzyloxy)phenyl]methanol. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides.
Physical properties of Benzenemethanol,4-(phenylmethoxy)- are: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.61; (4)ACD/LogD (pH 7.4): 2.61; (5)ACD/BCF (pH 5.5): 56.24; (6)ACD/BCF (pH 7.4): 56.24; (7)ACD/KOC (pH 5.5): 622.72; (8)ACD/KOC (pH 7.4): 622.72; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 63.87 cm3; (15)Molar Volume: 187.9 cm3; (16)Polarizability: 25.32×10-24cm3; (17)Surface Tension: 46 dyne/cm; (18)Density: 1.139 g/cm3; (19)Flash Point: 170.6 °C; (20)Enthalpy of Vaporization: 65.31 kJ/mol; (21)Boiling Point: 371.9 °C at 760 mmHg; (22)Vapour Pressure: 3.43E-06 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-benzyloxy-benzaldehyde at the ambient temperature. This reaction will need reagent NaBH4 and solvent methanol with the reaction time of 1 hour. The yield is about 75%.
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Uses of Benzenemethanol,4-(phenylmethoxy)-: it can be used to produce benzyl-(4-chloromethyl-phenyl)-ether at the temperature of 20 °C. It will need reagent SOCl2 and solvent CH2Cl2 with the reaction time of 1 hour. The yield is about 98%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. You should not breathe dust. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You must avoid contact with skin and eyes. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1S/C14H14O2/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2
(2)InChIKey: OEBIVOHKFYSBPE-UHFFFAOYSA-N
(3)Canonical SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)CO