Dodecyl 3,4,5-trihydroxybenzoate
Dodecyl gallate
CAS: 1166-52-5
Molecular Formula: C19H30O5
Dodecyl 3,4,5-trihydroxybenzoate - Names and Identifiers
| Name | Dodecyl gallate |
| Synonyms | 96-97℃ progallinla nipagallinla Progallin LA Lauryl gallate Dodocyl gallate Dodecyl gallate Dodecyl 3,4,5-trihydroxybenzoate Lauryl Gallate (Dodecyl Gallate) n-dodecyl 3,4,5-trihydroxybenzoate DODECYL GALLATE( DODECYL 3,4,5-TRIHYDROXYBENZOATE) |
| CAS | 1166-52-5 |
| EINECS | 214-620-6 |
| InChI | InChI=1/C19H30O5/c1-2-3-4-5-6-7-8-9-10-11-12-24-19(23)15-13-16(20)18(22)17(21)14-15/h13-14,20-22H,2-12H2,1H3 |
| InChIKey | RPWFJAMTCNSJKK-UHFFFAOYSA-N |
Dodecyl 3,4,5-trihydroxybenzoate - Physico-chemical Properties
| Molecular Formula | C19H30O5 |
| Molar Mass | 338.44 |
| Density | 1.0677 (rough estimate) |
| Melting Point | 94-97 °C (lit.) |
| Boling Point | 394.57°C (rough estimate) |
| Flash Point | 180.3°C |
| Water Solubility | practically insoluble |
| Solubility | Very slightly soluble or practically insoluble in water, freely soluble in ethanol (96 per cent), slightly soluble in methylene chloride. |
| Vapor Presure | 1.67E-11mmHg at 25°C |
| Appearance | White to white-like powder or crystal |
| Color | White to Almost white |
| BRN | 2701981 |
| pKa | 7.93±0.25(Predicted) |
| Storage Condition | Store below +30°C. |
| Sensitive | Air Sensitive |
| Refractive Index | 1.6120 (estimate) |
| MDL | MFCD00002195 |
| Physical and Chemical Properties | White or milk-white crystals. Odorless. The taste was slightly bitter. Melting point 95-98 °c. Insoluble in water, soluble in ethanol, ether, acetone, propanol. Slightly soluble in chloroform and benzene. |
| Use | Used as a food additive |
Dodecyl 3,4,5-trihydroxybenzoate - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 43 - May cause sensitization by skin contact |
| Safety Description | S24 - Avoid contact with skin. S37 - Wear suitable gloves. |
| UN IDs | 3335 |
| WGK Germany | 1 |
| RTECS | DH9100000 |
| TSCA | Yes |
| HS Code | 29182950 |
| Toxicity | LD50 orally in Rabbit: 5000 mg/kg |
Dodecyl 3,4,5-trihydroxybenzoate - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| traits | white crystalline powder |
| identification test | solubility insoluble in water; Soluble in ethanol and ether (OT-42). The melting range is 95~98 ℃. It was measured after drying at 90 ℃ for 6h. Gallic acid test takes about 0.5g of sample, dissolves in 10 ml1mol/L sodium hydroxide, and boils under nitrogen for 30min. Keep under nitrogen flow, cool, and carefully acidify to pH 2~3 with 2mol/L sulfuric acid. After a sintered glass crucible, the precipitate was filtered out and washed with a small amount of water, and then dried at 110 ℃ for 2 hours. The melting point of the gallic acid obtained is about 240 ℃, and it decomposes accordingly. Thin-layer chromatographic analysis of gallate using a thin-layer plate prepared from silica gel G. Take the sample 10mg dissolved in l0ml ethanol as the sample liquid. In addition, 10mg of decyl gallate was dissolved in 10ml of ethanol as control solution A, while 10mg of decyl gallate and 10mg of octyl gallate were dissolved in 10ml of ethanol as control solution B. Each solution points 5/μl on the chromatographic plate. A mixture containing 20 parts of glacial acetic acid, 40 parts of petroleum ether and 40 parts of toluene (even volume) was used as a spreading solvent. When spreading to about 15cm, the chromatographic plate was dried in air. Spray with ethanol liquid containing 20% phosphomolybdic acid as an indicator until yellow spots appear. Observed in sunlight, after a few minutes should turn blue, the chromatographic plate exposed to ammonia vapor for 5~10min, until the background is white. Observe in daylight. The main color spot of the sample liquid should be similar to that of the control liquid A. And can be identified from the control liquid B of the palate and gallate octanoate spots. |
| content analysis | accurately weigh about 0.2g of dry sample, put it into a 400ml beaker, add 150ml of water, and boil. Add 50ml of bismuth nitrate test solution (II)(TS-43) under vigorous stirring and boil. Continue stirring for several minutes until the precipitate is completely precipitated, and then cool to room temperature. The yellow precipitate was filtered through a sintered glass crucible of constant weight. Wash with 0.05mol/L cold nitric acid solution first, then wash with ice water until there is no acid. Dry at 110 ℃ to constant weight. Calculate the content according to the following formula: gallate content (%)= precipitation mass × 60.17/sample mass |
| toxicity | ADI 0~0.05 mg/kg(FAO/WHO,2001). LD50 6.5 g/kg (rat, oral). LD501600 (mouse, oral). GRAS(FDA,§ 184.1317,2000). According to EEC-HlACSG regulations, it shall not be used for infant food. |
| usage limit | FAO/WHO(1984): general edible vegetable oil, margarine, anhydrous milk fat 100 mg/kg (tentative). |
| use | antioxidant. Used as food additive |
| Production method | is obtained by esterification of gallic acid and lauryl alcohol. |
Last Update：2024-04-09 15:16:47
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