HSDB 5412
4-Allylanisole
CAS: 140-67-0;1407-27-8;77525-18-9
Molecular Formula: C10H12O
HSDB 5412 - Names and Identifiers
HSDB 5412 - Physico-chemical Properties
| Molecular Formula | C10H12O |
| Molar Mass | 148.2 |
| Density | 0.965 g/mL at 25 °C (lit.) |
| Melting Point | 25°C |
| Boling Point | 215-216 °C (lit.) |
| Flash Point | 178°F |
| JECFA Number | 1789 |
| Water Solubility | 177.8mg/L(25 ºC) |
| Solubility | Soluble in ethanol and chloroform, insoluble in water |
| Vapor Presure | 82-101hPa at 20-37.8℃ |
| Appearance | Colorless transparent liquid |
| Specific Gravity | 0.965 |
| Color | Clear colorless |
| Merck | 14,3705 |
| BRN | 1099454 |
| Storage Condition | Sealed in dry,2-8°C |
| Stability | Stable. Flammable. Incompatible with strong oxidizing agents. |
| Sensitive | stable. Flammable. Incompatible with strong oxidants. |
| Refractive Index | n20/D 1.521(lit.) |
| MDL | MFCD00008653 |
| Physical and Chemical Properties | Colorless to light yellow liquid with anise-like aroma. Boiling point 216 °c. Soluble in ethanol and chloroform, insoluble in water. Natural products are found in Apple, bilberry, fennel, apple wine, marjoram, tarruca, fennel, etc. |
HSDB 5412 - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R22 - Harmful if swallowed R38 - Irritating to the skin R43 - May cause sensitization by skin contact R68 - Possible risk of irreversible effects R40 - Limited evidence of a carcinogenic effect |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. |
| UN IDs | NA 1993 / PGIII |
| WGK Germany | 3 |
| RTECS | BZ8225000 |
| TSCA | Yes |
| HS Code | 29093090 |
| Toxicity | LD50 in rats, mice (mg/kg): 1820, 1250 orally (Jenner) |
HSDB 5412 - Reference
| Reference Show more | 1. [IF=2.858] Tian-Tian Li et al."Control of pathogenic fungi on Panax notoginseng by volatile oils from the food ingredients Allium sativum and Foeniculum vulgare."LETTERS IN APPLIED MICROBIOLOGY. 2022 Apr 06 |
HSDB 5412 - Reference Information
| FEMA | 2411 | ESTRAGOLE |
| LogP | 3.4 at 25-35℃ and pH7 |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| brief introduction | artemisinin brain widely exists in inflorescences, branches and leaves, stems, fruits, seeds and other parts of plants, especially in some Chinese herbal medicines and spice plants with high content. Fennel calamus, tooth leaf yellow skin, geranium calamus, green Sichuan pepper, purple basil, sparse hair basil, agastache, fish vanilla, etc. are important resources with good development and utilization prospects. |
| application | Artemisia annua is one of the important activities of Chinese herbal medicine plants and one of the main spice components in some important spice plant essential oils. it has been widely used in medicine, pesticides, food additives and fine chemicals that require its biological activity and has a good prospect. At present, it is widely used in spice, food and beverage industries. |
| content analysis | method 1 is to determine the methoxy content according to the GT-14 method, and then calculate according to the following formula: artemisinin brain (%)= methoxy content (%)× 148.2/31.03 method 2 is to be determined according to the polar column method in the GT-10-4. |
| toxicity | ADI has not yet been specified (FAO/WHO,1994). GRAS(FEMA). |
| use limit | FEMA(mg/kg): soft drink 10; Cold drink 11; Candy 36; Baked food 41; Gum sugar 150; Seasoning 2.0. Moderate limit (FDA § 172.515,2000). |
| use | spices. Mainly for the preparation of spices, beer flavors and flavorings. Used for baked products, alcoholic and non-alcoholic beverages, gum candy, candy, candied fruit, ice cream, fish, salad, sauce, vinegar, etc. |
| production method | obtained by fractionation of turpentine or artemisinin oil. It is obtained by the reaction of allyl bromide and p-methoxyphenol magnesium. |
| category | toxic substances |
| toxicity classification | poisoning |
| acute toxicity | oral administration-rat LDL0: 1230 mg/kg; Oral administration-mouse LD50: 1030 mg/kg |
| stimulation data | skin-rabbit 500 mg/24 hours moderate |
| flammability hazard characteristics | flammable; combustion produces stimulating smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; separate from food raw materials |
| fire extinguishing agent | dry powder, foam, sand, carbon dioxide, mist water |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 21:01:54
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