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CAS No.: | 1700-30-7 |
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Name: | 3-BENZYLOXYBENZYL ALCOHOL |
Article Data: | 30 |
Molecular Structure: | |
Formula: | C14H14O2 |
Molecular Weight: | 214.264 |
Synonyms: | Benzylalcohol, m-(benzyloxy)- (6CI,7CI);(3-Benzyloxyphenyl)methanol;3-(Benzyloxy)benzyl alcohol;3-Benzyloxybenzylic alcohol; |
EINECS: | 216-931-2 |
Density: | 1.14 g/cm3 |
Melting Point: | 48 °C(lit.) |
Boiling Point: | 371.5 °C at 760 mmHg |
Flash Point: | 170.4 °C |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 37/39-26-36 |
PSA: | 29.46000 |
LogP: | 2.75790 |
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The Benzenemethanol,3-(phenylmethoxy)-, with CAS registry number 1700-30-7, belongs to the following product categories: (1)Benzhydrols, Benzyl & Special Alcohols; (2)Aromatic alcohols and diols; (3)Alcohols; (4)Anisoles, Alkyloxy Compounds & Phenylacetates; (5)C9 to C30; (6)Oxygen Compounds. It has the systematic name of [4-(benzyloxy)phenyl]methanol. This chemical is a kind of white to light yellow crystal powder. What's more, its EINECS is 216-931-2.
Physical properties of Benzenemethanol,3-(phenylmethoxy)-: (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 3-benzyloxy-benzaldehyde. This reaction will need reagent NaBH4.
Uses of Benzenemethanol,3-(phenylmethoxy)-: it can be used to produce 3-benzyloxybenzyl bromide. This reaction will need reagent PBr3.
When you are using this chemical, please be cautious about it as the following:
The Benzenemethanol,3-(phenylmethoxy)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: O(c1ccc(cc1)CO)Cc2ccccc2
(2)InChI: InChI=1/C14H14O2/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2
(3)InChIKey: OEBIVOHKFYSBPE-UHFFFAOYAR
(4)Std. 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
(5)Std. InChIKey: OEBIVOHKFYSBPE-UHFFFAOYSA-N