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105-13-5

Basic Information
CAS No.: 105-13-5
Name: Anisic alcohol
Molecular Structure:
Molecular Structure of 105-13-5 (Anisic alcohol)
Formula: C8H10O2
Molecular Weight: 138.18
Synonyms: (4-methoxyphenyl)methanol;Anise alcohol;Benzyl alcohol, p-methoxy-;p-Anisyl alcohol;p-Anisol alcohol;Anisyl alcohol;benzenemethanol, 4-methoxy-;4-Methoxybenzyl alcohol (p-Anisic alcohol, 99.0%);Anisyl Alcohol , Natural;4-Methoxybenzyl alcohol;
EINECS: 203-273-6
Density: 1.113 g/mL at 25 °C(lit.)
Melting Point: 22-25 °C(lit.)
Boiling Point: 259 °C(lit.)
Flash Point: 230 °F
Solubility: insoluble in water
Appearance: clear colourless to yellowish liquid after melting
Hazard Symbols: HarmfulXn,IrritantXi
Risk Codes: 36/37/38-63-62-41-20/21/22
Safety: 26-45-36/37/39
Transport Information:
PSA: 29.46000
LogP: 1.18750
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  • Anisic alcohol

  • Casno:

    105-13-5

    Anisic alcohol

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  • 4-Methoxybenzyl alcohol

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    105-13-5

    4-Methoxybenzyl alcohol

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  • 4-Methoxybenzyl alcohol

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    105-13-5

    4-Methoxybenzyl alcohol

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  • 4-Methoxybenzyl alcohol

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    105-13-5

    MSDS/COA Download

    4-Methoxybenzyl alcohol

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    Appearance Colorless to pale yellow liquid In white solid at 25℃ Assay,GC 99%min Boiling point 258.5-259.5℃ Melting point 23-25.5℃ Acid value,mgKOH/g 2 max Appearance:Colorless or slightly yellow liquid Application:Is an important int

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  • 4-Methoxybenzyl alcohol CAS NO.: 105-13-5

  • Casno:

    105-13-5

    4-Methoxybenzyl alcohol CAS NO.: 105-13-5

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Reported in EPA TSCA Inventory.

Specification

The CAS registry number of Anisic alcohol is 105-13-5. Its EINECS registry number is 203-273-6. The IUPAC name is (4-methoxyphenyl)methanol. 4-Methoxybenzyl alcohol is also called p-Anise Alcohol; p-Anisyl alcohol; Methoxybenzenemethanol; 4-methoxy-Benzenemethanol; Benzenemethanol,4-methoxy-; p-methoxy-benzyl alcohol; 4-methoxyphenol; 4-methoxy-1,3-benzothiazol-2-amine. In addition, the molecular formula is C8H10O2. What's more, it is a clear colourless to yellowish liquid after melting. It can be used in organic synthesis and used as a solvent and food flavor.

Physical properties about Anisic alcohol are: (1)ACD/LogP: 0.944; (2)ACD/LogD (pH 5.5): 0.94; (3)ACD/LogD (pH 7.4): 0.94; (4)ACD/BCF (pH 5.5): 3.07; (5)ACD/BCF (pH 7.4): 3.07; (6)ACD/KOC (pH 5.5): 77.76; (7)ACD/KOC (pH 7.4): 77.76; (8)#H bond acceptors: 2 ; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.531; (12)Molar Refractivity: 39.383 cm3; (13)Molar Volume: 127.252 cm3; (14)Polarizability: 15.613 10-24cm3; (15)Surface Tension: 38.7470016479492 dyne/cm; (16)Density: 1.086 g/cm3; (17)Flash Point: 110.271 °C; (18)Enthalpy of Vaporization: 52.47 kJ/mol; (19)Boiling Point: 258.999 °C at 760 mmHg; (20)Vapour Pressure: 0.00700000021606684 mmHg at 25°C

Preparation of Anisic alcohol: it can be prepared by anise, methanal and sodium hydroxide in the presence of ethanol through cannizzaro reaction. After the reaction, through a series of extraction by benzene, acidification by acetic acid, neutralization by sodium hydrogen carbonate, washing, distillation and vacuum distillation you can get the desired product.

Uses of Anisic alcohol: it can be used to get 4-methoxy-benzaldehyde and 4-methoxy-benzonitrile. This reaction will need reagents aq. NH3, NiSO4-K2S2O8 and NaOH, and solvent H2O. The reaction time is 1.5 hours with ambient temperature. The yield is about 8%.

4-Methoxybenzyl alcohol can be used to get 4-methoxy-benzaldehyde and 4-methoxy-benzonitrile

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. In addition, it may has risk of impaired fertility and harm to the unborn child. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(CO)cc1;
(2)InChI: InChI=1/C8H10O2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3;
(3)InChIKey: MSHFRERJPWKJFX-UHFFFAOYAE;

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1600uL/kg (1.6mL/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
mouse LD50 skin > 10mL/kg (10mL/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
rabbit LD50 skin 3gm/kg (3000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 825, 1974.
rat LD50 oral 1200uL/kg (1.2mL/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.

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