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Anisic alcohol CAS NO.105-13-5
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- ProName: Anisic alcohol
- CasNo: 105-13-5
- Molecular Formula: C8H10O2
- Appearance: Clear liquid or straw yellow lucency l...
- Purity: min 99%
- LimitNum: 0
Superiority
1. Introduction of P-methoxybenzyl alcohol P-methoxybenzyl alcohol(CAS NO.105-13-5) is one kind of clear liquid or straw yellow lucency…
Details
1. Introduction of P-methoxybenzyl alcohol
P-methoxybenzyl alcohol (CAS NO.105-13-5) is one kind of clear liquid or straw yellow lucency liquid. The (4-methoxyphenyl)methanol is the IUPAC Name of this chemical. Besides, this chemical belongs to the product categories which is Benzhydrols, Benzyl & Special Alcohols.
We has the min 99% P-methoxybenzyl alcohol. The detailed information of this chemical is as follows:
P-methoxybenzyl alcohol Name of product : P-methoxybenzyl alcohol CAS NO. : 105-13-5 Molecular formula : C8H10O2 Melting point : min 23°C-25.5°C Water : max 0.1% Acid : max 1.0% Desity : 1.109g/cm3-1.115g/cm3 Refractive index : 1.541-1.547.
2. Basic information of P-methoxybenzyl alcohol
1) Properties:
(1)XLogP3: 1.1; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 2; (4)Rotatable Bond Count: 2; (5)Exact Mass: 138.06808; (6)MonoIsotopic Mass: 138.06808; (7)Topological Polar Surface Area: 29.5; (8)Heavy Atom Count: 10; (9)Formal Charge: 0; (10)Complexity: 85.3; (11)Isotope Atom Count: 0; (12)Defined Atom Stereocenter Count: 0; (13)Undefined Atom Stereocenter Count: 0; (14)Defined Bond Stereocenter Count: 0; (15)Undefined Bond Stereocenter Count: 0; (16)Covalently-Bonded Unit Count: 1; (17)Feature 3D Acceptor Count: 2; (18)Feature 3D Donor Count: 1; (19)Feature 3D Ring Count: 1; (20)Effective Rotor Count: 2; (21)Conformer Sampling RMSD: 0.4.
2) Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 25 | deg C | EXP | |
| Boiling Point | 259.1 | deg C | EXP | |
| log P (octanol-water) | 1.1 | (none) | EXP | |
| Water Solubility | 2000 | mg/L | 20 | EXP |
| Vapor Pressure | 3.80E-03 | mm Hg | 25 | EST |
| Henry's Law Constant | 1.29E-08 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 3.04E-11 | cm3/molecule-sec | 25 | EST |
3) Descriptors of Structure
Smiles: c1(ccc(OC)cc1)CO
InChI: InChI=1S/C8H10O2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3
InChIKey: MSHFRERJPWKJFX-UHFFFAOYSA-N
Canonical SMILES: COC1=CC=C(C=C1)CO
4) Production of P-methoxybenzyl alcohol
This chemical can be obtained from the Anisic aldehyde. The detailed is star Anisic aldehyde, sodium hydroxide in ethanol Connie occurred in check ROM (Cannizzaro) reaction. Then we can get the 4-Methoxybenzyl alcohol. Then distillat recycling ethanol and react income reservoir with benzene. Extract acetic acid and sodium bicarbonate and to weak alkaline, wash to neutral, distillat recycling benzene, residues in vacuum distillation. Finally we can get the right P-methoxybenzyl alcohol.
5) Uses of P-methoxybenzyl alcohol
This chemical is often used for dispensing jasmine, lilac and essence. This chemical is also in the use of flavouring agent.
