122-03-2
p-Isopropylbenzaldehyde
CAS: 122-03-2
Molecular Formula: C10H12O
122-03-2 - Names and Identifiers
122-03-2 - Physico-chemical Properties
| Molecular Formula | C10H12O |
| Molar Mass | 148.2 |
| Density | 0.977g/mLat 25°C(lit.) |
| Melting Point | 235-236 °C(lit.) |
| Boling Point | 235-236°C(lit.) |
| Flash Point | 200°F |
| JECFA Number | 868 |
| Water Solubility | insoluble |
| Solubility | H2O: insoluble;alcohol: soluble;diethyl ether: soluble. Soluble in ethanol and ether, almost insoluble in water. |
| Vapor Presure | 0.0482mmHg at 25°C |
| Appearance | Transparent liquid |
| Color | Clear colorless to yellow |
| Merck | 14,2621 |
| BRN | 636547 |
| Storage Condition | Inert atmosphere,2-8°C |
| Sensitive | Air Sensitive |
| Refractive Index | n20/D 1.529(lit.) |
| MDL | MFCD00006953 |
| Physical and Chemical Properties | Boiling Point: 235-236 ℃ |
| Use | Used as perfume products, pharmaceutical intermediates |
122-03-2 - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection |
| WGK Germany | 2 |
| RTECS | CU7000000 |
| TSCA | Yes |
| HS Code | 29122900 |
| Toxicity | LD50 orally in rats: 1390 mg/kg (Jenner) |
122-03-2 - Reference
| Reference Show more | 1. He Lu, Xiao Shuqin, Guan Xin, He Pengfei, Yin Zhipeng. Isolation and Identification of an Endophytic Fungus from Cumin and GC Analysis of Its Metabolites [J]. Journal of Shenyang Agricultural University 2018 49(06):730-734. |
122-03-2 - Nature
Open Data Verified Data
colorless to light yellow liquid with strong fennel aroma. Insoluble in water, soluble in ethanol, acetone, chloroform, benzene and other organic solvents. Long-term storage in the air can be oxidized discoloration, should be sealed and stored in a cool place. Molecular weight 148. 22, boiling point 232 ℃,
The density is 0.9818, and the refractive index is 1. 529~1.534. Natural xanthaldehyde mainly exists in litter oil (content 30%), cinnamon oil, bitter orange oil, eucalyptus oil, rutin oil, lemon oil, Acacia oil.
Last Update：2024-01-02 23:10:35
122-03-2 - Preparation Method
Open Data Verified Data
from the content of> 30% of the litter oil distillation and separation.
Last Update：2022-01-01 11:14:28
122-03-2 - Introduction
Insoluble in water.
Last Update：2022-10-16 17:12:48
122-03-2 - Use
Open Data Verified Data
It is mainly used as a head fragrance, and a small amount of it is used in the daily flavor of Acacia, Violet, wind times seed, clove, lily of the Valley and other aroma types.
Last Update：2022-01-01 11:14:29
122-03-2 - Reference Information
| FEMA | 2341 | CUMINALDEHYDE |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| flavors and spices | kumen aldehyde is also called p-isopropylbenzaldehyde and dill aldehyde. It is naturally found in essential oils such as dry tea oil, cinnamon oil, acacia oil, eucalyptus oil and bitter orange oil. Colorless to light yellow oily liquid. There is a strong special smell of dry tea at high concentration, which is unpleasant; there is aroma at low concentration. Relative molecular mass 148.21. Relative density 0.9755. Boiling point 235~236 ℃, 131~135 ℃ (4.67 × 103Pa), 103~104 ℃(1.33 × 103Pa). Flash point 93 ℃. 1.5301 refractive index. Insoluble in water, soluble in ethanol, ether and non-volatile oil. It is easy to oxidize in the air. sensitive to iron ions. The product specification of cumin aldehyde produced by Swiss GIV company is: the content is not less than 98% (chromatography), which refers to the total amount of isomeric aldehyde, of which the para isomer is> 87%; D2040.977 ~ 0.981,n20D1.528 ~ 1.533, flash point 93 ℃. According to the information provided by RIFM, the acute toxicity data of cumin aldehyde: oral LD501.4g/kg (rats), skin test LD502.8g/kg (rabbits). Dry tea aldehyde can be used in a small amount in the formula of daily chemical essence, the dosage is less than 1%. IFRA has no restrictions. |
| use | 4-isopropylbenzaldehyde is the raw material for synthesizing rabbit ear grass aldehyde. It is also used in cosmetics, spices and berry flavors for food. A small amount is used in daily flavors such as violet, lilac, hyacinth, acacia, lily of the valley, iris, etc., as a head fragrance. Very small amounts are used in food flavors such as spice, dill, herbs, vinegar millet, vegetables, condiments, berries, etc. Because it is cheap, it is also used as a mask for bad breath in industrial products. Safety management: FEMA No. 2341, FDA172.515, CoE111, approved by the Chinese GB2760-1996 as permitted food spices. GB 2760-1996 stipulates edible spices that are allowed to be used. Mainly used for spices and berry flavors. Used as perfume products, pharmaceutical intermediates aldehydes synthetic incense family. Mainly used as a blending spice for imaginary flavors. It is also a raw material for the synthesis of cyclamen aldehyde. |
| Synthesis method | Heat p-isopropylbenzoyl chloride with an aqueous solution or alcohol solution of hexamethylenetetramine to prepare cumin aldehyde. 780kg of thiophene-free benzene, 500kg of anhydrous aluminum chloride and 50kg of anhydrous copper chloride are added to a glass-lined reaction kettle equipped with a cooling jacket, and then 236kg of isopropyl chloride and 140kg of CO mixture are added in more than 20 hours. The temperature is kept at 20-25 ℃ to make the CO absorption condition at the best level, and the reaction time cannot be shorter unless a steam turbine mixer is used. After the reaction is complete, the material is placed on ice to quench, and the amount of ice is 4 times the amount of aluminum chloride used in the reaction. Washing and separation, 500kg of benzene is recovered by distillation, and aldehyde is fractionated under vacuum. The yield is 45% calculated by isopropyl chlorine. |
| content analysis | determined by method 2 (tert-butanol method) in aldehyde and ketone determination method (OT-7). The sample amount taken is 1g. After mixing, it should be allowed to stand for 1h at room temperature, and then titrated. The equivalent factor (e) in the calculation is 74.11. |
| toxicity | GRAS(FEMA). LD50 139.0 mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): soft drink 3.1; Cold drink 3.2; Candy 4.0; Baked food 4.0; Gum candy 0.4~0.5; Seasoning 3.0. Moderate limit (FDA § 172.515,2000). |
| Production method | It is obtained by co-heating p-cumene chloride with an aqueous solution or alcohol solution of urotropine. |
Last Update：2024-04-09 20:49:11
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