105-13-5
4-Methoxybenzyl alcohol
CAS: 105-13-5
Molecular Formula: C8H10O2
105-13-5 - Names and Identifiers
105-13-5 - Physico-chemical Properties
| Molecular Formula | C8H10O2 |
| Molar Mass | 138.16 |
| Density | 1.113 g/mL at 25 °C (lit.) |
| Melting Point | 22-25 °C (lit.) |
| Boling Point | 259 °C (lit.) |
| Flash Point | 230°F |
| JECFA Number | 871 |
| Water Solubility | insoluble |
| Solubility | alcohol: freely soluble |
| Vapor Presure | 0.24-0.53Pa at 25℃ |
| Appearance | Liquid After Melting |
| Specific Gravity | 1.108 |
| Color | Clear colorless to yellow |
| Merck | 14,665 |
| BRN | 636654 |
| pKa | 14.43±0.10(Predicted) |
| PH | 6.3 (10g/l, H2O, 20℃) |
| Storage Condition | -20°C |
| Explosive Limit | 0.9-7.3%(V) |
| Refractive Index | n20/D 1.544(lit.) |
| Physical and Chemical Properties | Appearance: colorless or light yellow transparent liquid |
| Use | Is an important intermediate in organic synthesis, used in the synthesis of spices, triphenylmethane dyes |
105-13-5 - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. R63 - Possible risk of harm to the unborn child R62 - Possible risk of impaired fertility R41 - Risk of serious damage to eyes R37/38 - Irritating to respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | UN1230 - class 3 - PG 2 - Methanol, solution |
| WGK Germany | 1 |
| RTECS | DO8925000 |
| TSCA | Yes |
| HS Code | 29094990 |
| Hazard Note | Irritant |
| Toxicity | LD50 orally in rats: 1.2 ml/kg (Woodart) |
105-13-5 - Reference Information
| FEMA | 2099 | ANISYL ALCOHOL |
| LogP | -0.08-1.05 at 24-27℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| preparation | to a 25ml round-bottom flask was added P-methoxybenzaldehyde (680mg,5mmol),10mmol of formic acid, 5ml of deionized water and 1mol% of the catalyst cat-1 were then placed in an oil bath and heated to 60 degrees for 12H until the starting material completely disappeared. After extraction with ethyl acetate, the organic phase was collected, dried over anhydrous sodium sulfate, and the crude product obtained by concentration was purified by Silica Gel chromatography to obtain 4-methoxybenzyl alcohol (685mg,4.95mmol), yield 99%. |
| star anise oil | star anise oil, also known as star anise oil, is a colorless transparent or light yellow liquid above 20 degrees Celsius, when the temperature drops, there will be Flake crystal precipitation, with the aroma and sweet taste of anethole. Slightly soluble in water, soluble in ethanol, ether and chloroform. Illicium verum is the genus of Magnoliaceae. Its fruit is aggregated fruit, octagonal shape, so commonly known as star anise, also known as Big material. Star anise oil is a complex composition of aromatic oil, volatile oil, slightly viscous. Color to gray-white as well, yellow slightly, sweet taste and pricking tongue, with a strong anise aroma. At a temperature of 10-15 °c, it is coagulated with stirring. Its main component is trans anethole, content as high as 80%. It also contains α-pinene, limonene, linalool, safrole, anisaldehyde, anethole, 4-terpineol, Artemisia cerebrum, anisaldehyde and other components. Anise oil is a kind of aromatic oil which is highly technical and difficult to identify without chemical instruments. At present, the producing area is still through the acquirer with the eyes of the meat, nose smell to identify the quality of the oil. Star anise oil is mainly used in the perfume industry to extract anethole and synthesize anisaldehyde and anisol (p-methoxybenzyl alcohol, 4-methoxybenzyl alcohol). Some monomer spices are widely used in toothpaste, food, soap and cosmetic flavor. The fruit is commonly used in our people's food spices. At the same time, the Star Oil is the main raw material for the synthesis of negative hormone in the pharmaceutical industry. Since the octagonal oil is lighter than water and is suspended on the water surface, the water containing the octagonal oil after oil-water separation is returned to the distillation pan for re-distillation to improve the oil yield. |
| assay | was performed as a total alcohol assay (OT-5). The amount of acetylated alcohol used for saponification was 1.5g. The equivalence factor (e) in the calculation is taken as 69.09. Or according to GT-10-4 in gas chromatography non-polar column method. |
| toxicity | ADI 1 mg/kg(CE). LD501200mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): Soft drink 7.4; Cold drink 8.0; Candy 11; Baked goods 12; pudding 1.9. Moderate limits (FDA § 172.515,2000). |
| Use | is mainly used in flower-like essence with clear fragrance, such as Hawthorn flower, Jasmine, Acacia, shaming flower, Robinia pseudoacacia, clove, lily of the valley, Violet, Magnolia, sunflower, etc. Can also be used in the need of the blue bean flavor of the green blue type spices, to coordinate the aroma and increase the aroma of the bean. Can also be used in chocolate, cocoa and fresh fruit and other food flavors. GB 2760-1996 provides for the permitted use of flavorants. Mainly for the preparation of vanilla, chocolate, cocoa, almonds, peach and other flavors. used in the preparation of drugs and spices used as a pharmaceutical intermediate The product has a slightly sweet fennel aroma, which is commonly used in the preparation of jasmine, clove and other flavors, suitable for the preparation of perfume. The product is China's GB2760-86 provisions for the allowed use of edible spices. Mainly used in the preparation of vanilla, chocolate, cocoa, almonds, peach and other flavors. It is also used in organic synthesis and as a solvent. moxonidine intermediate Alcohol-based synthetic fragrance. Mainly used for Jasmine, clove, pea, gardenia and other flavors of blended spices, for perfumes and other cosmetics. provides temporary protection to the counter OH-Group of the carbohydrate. |
| production method | is obtained by reduction of anisaldehyde. Anise was reacted with formaldehyde and sodium hydroxide in ethanol to produce P-methoxybenzyl alcohol. After the ethanol was recovered by distillation, the oil layer obtained by the reaction was extracted with benzene, acidified with acetic acid, neutralized to weak alkalinity with sodium bicarbonate, and washed to Neutral with water, then the benzene was recovered by distillation, and the residue was distilled under reduced pressure to obtain p-methoxybenzyl alcohol. In a methanol solution, a mixture of anisaldehyde and formaldehyde is treated with a potassium hydroxide solution to obtain a mixture of anisol and formic acid, which is extracted with benzene and purified by distillation to obtain a pure product. Using platinum as a catalyst, ferrous chloride as reducing agent, obtained from the hydrogenation of anisaldehyde. |
Last Update：2024-04-09 20:44:15
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