Lilialdehyde
Lilialdehyde
CAS: 80-54-6
Molecular Formula: C14H20O
Lilialdehyde - Names and Identifiers
| Name | Lilialdehyde |
| Synonyms | Lilialdehyde Lily aldehyde Lilial solution Lilial Lilestralis BUTYLPHENYL METHYLPROPIONAL 3-(4-tert-butylphenyl)butanal synthetic convallaria aldehyde 3-(4-tert-butylphenyl)-2-methylpropanal 4-(1,1-Dimethylethyl)-methylbenzenepropanal 4-tert-Butyl-alpha-methylhydrocinnamaldehyde (2S)-3-(4-tert-butylphenyl)-2-methylpropanal 3-(4-tert-Butylphenyl)isobutyraldehyde (beta-) 4-tert-butyl-alpha-methyl hydrocinnamic aldehyde alpha-Methyl, beta-(p-tert-butylphenyl)propionaldehyde |
| CAS | 80-54-6 |
| EINECS | 201-289-8 |
| InChI | InChI=1/C14H20O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,10-11H,9H2,1-4H3/t11-/m0/s1 |
| InChIKey | SDQFDHOLCGWZPU-UHFFFAOYSA-N |
Lilialdehyde - Physico-chemical Properties
| Molecular Formula | C14H20O |
| Molar Mass | 204.31 |
| Density | 0.946g/mLat 20°C(lit.) |
| Melting Point | 106-109 °C |
| Boling Point | 150°C 10mm |
| Flash Point | 100°C |
| Water Solubility | 33mg/L at 20℃ |
| Vapor Presure | 0.25Pa at 20℃ |
| Appearance | neat |
| Color | Colorless to Light yellow |
| BRN | 880140 |
| Storage Condition | 2-8°C |
| Refractive Index | n20/D 1.505 |
| Physical and Chemical Properties | This product is oily liquid, insoluble in water. |
| Use | Widely used in Lily, clove, Magnolia, Camellia and Su Xinlan, Oriental flavor type Daily flavor |
Lilialdehyde - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R38 - Irritating to the skin R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R62 - Possible risk of impaired fertility R43 - May cause sensitization by skin contact |
| Safety Description | S60 - This material and its container must be disposed of as hazardous waste. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S36/37 - Wear suitable protective clothing and gloves. |
| UN IDs | UN 3082 9/PG 3 |
| WGK Germany | 2 |
| RTECS | MW4895000 |
| FLUKA BRAND F CODES | 10 |
| HS Code | 29121900 |
Lilialdehyde - Reference Information
| LogP | 4.2 at 24℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | p-tert.-butyl-Alpha-methylhydrocinaminaldehyde, abbreviation: lilial) is one of the largest varieties of synthetic spices, under conventional conditions for liquid, boiling point of 279 ℃, with Lily of the valley, Lily, clove, the fragrance of rabbit ear grass and other flowers is pure, soft and elegant, and is welcomed by the perfumer. |
| Application | Linglan aldehyde is widely used in middle and high-grade cosmetics essence and soap essence, usually used in the preparation of lily of the valley, green blue, oriental fragrance, flower flavor. This kind of fragrance has an important role in the preparation of new flavor, and the commonly used varieties are not less than 2000. |
| preparation | add 32.4kg of p-tert-butylbenzaldehyde, 60kg of methanol and an aqueous solution (15% strength) containing 3.5kg of sodium hydroxide to the reactor, after mixing and stirring, 12kg of N-propionaldehyde is added dropwise at 25 ° C. For condensation reaction. After completion of the addition of N-propionaldehyde, the temperature is raised, for example, at 45-55 ° C. For 1.5-2 hours. Acetic acid was added to adjust the pH to 4.5 to 6.5, the condensation reaction was completed, methanol was recovered by distillation, and the methanol was used in the above condensation reaction in a loop. Using a thin film evaporator under 45Pa continuous distillation, material in the evaporator residence time of 14~18s, pale yellow solid, melting point 69 ℃, gas chromatography purity of 95%, the yield of 90%, the molecular weight was determined to be 202 by GS-MS analysis and was confirmed to be p-tert-butyl-α-methylbenzacrolein by 1H-NMR detection. In the hydrogenation kettle, P-tert-butyl-α-methylacrolein, solvent methanol and Pd/C catalyst are charged, and the feeding ratio (weight) of methanol to tert-butyl-α-methylacrolein is 1: 1; ratio of catalyst to tert-butyl-α-methyl-phenyl acrolein (Weight) = 2: 1000, then the air in the kettle is pumped out by a vacuum pump connected to the hydrogenation kettle, and after replacing it with nitrogen for 3 times, the hydrogen with a purity of more than 99.99% is filled, the temperature was raised to 60-65 °c and the reaction was carried out at 0.5MPa with stirring. After the hydrogenation is finished, pressure filtration is carried out, and the solvent methanol is removed, to obtain the crude product of the pigment, and the crude product is subjected to distillation to obtain the final product of the pigment, which is a colorless transparent liquid with a refractive index (nd20) of 1.505, specific gravity (25 ℃,mg/mL) was 0.945; Acid value (mgKOH/g) was 1.5; GC content (area normalization method): 1.2% for m-LLY and 97.5% for p-LLY; moisture was 0.20%. |
| Use | 2-methyl-3-(4-tert-butylphenyl) propanal, also known as 4-tert-butylphenylisobutyraldehyde, it is an intermediate of the bactericide butylphthalide and phthalide. widely used in cosmetics, soap flavor. It has a good flower fragrance, which can be shared with other flowers, and has a good aroma adaptability. It can be well blended with other flowers, Musk and wood aroma. Can be widely used in Lily, Lily of the valley, clove, orange flower, Magnolia, egg flower, fragrant flower, sweet bean flower flavor, can also be used for the Oriental type, fragrant wood type, musk base and fantasy flavor. The product has a sweet Lily fragrance, small irritation to the skin, alkali stability, widely used in Lily, clove, Magnolia, Camellia and plain heart Blue, Oriental flavor Daily flavor. Commonly used as soap, detergent spices, can also be used as the fragrance of floral cosmetics. colorless transparent liquid. Boiling point 126-127 ℃(0.80kPa),96-98 ℃(0.133kPa), relative density 0.942-0.947(204 ℃), refractive index 1.504-1.507. Soluble in ethanol, oil, insoluble in water. |
| production method | p-tert-butyl benzyl chloride is obtained from the reaction of tert-butyl benzene with formaldehyde and hydrochloric acid, then it reacts with the product to generate p-tert-butylbenzaldehyde, and further condenses with propionaldehyde to obtain the former, and finally it is prepared by selective hydrogenation. The preparation method is to add phosphorus oxychloride to dimethylformamide (DMF) below 20 ℃, raise the temperature to 70~80 ℃, Dropwise add 4-tert-butylphenylacetone, then the reaction was carried out at 70~80 °c for 5H, followed by treatment with 30% sodium hydroxide below 70 °c to obtain 96% of the alkenal, which was reduced by hydrogenation under the catalysis of palladium/carbon, the corresponding saturated aldehyde, 2-methyl -3-(4-tert-butylphenyl) propanal, is obtained. |
Last Update：2024-04-09 20:49:11
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