trans-3,7-dimethyl-2,6-octadien-1-olformate
geranyl formate
CAS: 105-86-2
Molecular Formula: C11H18O2
trans-3,7-dimethyl-2,6-octadien-1-olformate - Names and Identifiers
trans-3,7-dimethyl-2,6-octadien-1-olformate - Physico-chemical Properties
| Molecular Formula | C11H18O2 |
| Molar Mass | 182.26 |
| Density | 0.915g/mLat 25°C(lit.) |
| Boling Point | 216°C(lit.) |
| Flash Point | 210°F |
| JECFA Number | 54 |
| Water Solubility | Insoluble |
| Vapor Presure | 15Pa at 25℃ |
| Appearance | Bright yellow liquid |
| Color | Colorless to Almost colorless |
| Storage Condition | under inert gas (nitrogen or Argon) at 2-8°C |
| Refractive Index | n20/D 1.46(lit.) |
| MDL | MFCD00021047 |
| Physical and Chemical Properties | Colorless transparent liquid with the fragrance of fresh rose leaves. With ethanol, ether, chloroform, petroleum ether and other miscible. Practically insoluble in water. |
trans-3,7-dimethyl-2,6-octadien-1-olformate - Risk and Safety
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 1 |
| RTECS | RG5925700 |
| HS Code | 38220090 |
| Toxicity | The acute oral LD50 value in rats was reported as > 6 g/kg (Weir, 1971). The acute dermal LD50 value in rabbits was reported as > 5 g/kg (Weir, 1971). |
trans-3,7-dimethyl-2,6-octadien-1-olformate - Introduction
Soluble in alcohol, ether and general oils, insoluble in water and glycerin. Unstable to heat, atmospheric distillation is easy to decompose.
Last Update：2022-10-16 17:11:43
trans-3,7-dimethyl-2,6-octadien-1-olformate - Reference Information
| FEMA | 2514 | GERANYL FORMATE |
| Decomposition | 176-178 ºC |
| LogP | 4.1 at 20℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| synthesis method | geraniol formate mainly adopts esterification method, uses formic acid and geraniol as raw materials, undergoes esterification reaction in the presence of anhydrous calcium chloride, and then is neutralized, washed and dried. It can also be obtained from natural raw materials such as geraniol oil and trumpet tea oil through extraction. |
| content analysis | method 1 accurately weigh about 1g of sample. The saponification value (S) was determined according to the OT-40 method. Take the acid value (A) obtained in the following quality index analysis, and calculate the content of geranate formate according to the following formula: content (%)= S-A/561.1 × 182.26 method 2 is determined according to method 1 in ester determination method (OT-18). The sample quantity is 1g. The equivalent factor (e) in the calculation is 91.13. |
| toxicity | ADI 5 mg/kg(CE). |
| usage limit | FEMA(mg/kg): soft drink 1.9; Cold drink 1.6; Candy 7.5; Baked food 4.1, pudding 3.4; Gum candy 0.80. Moderate limit (FDA § 172.515,2000). |
| use | GB 2760-96 specifies edible spices that are allowed to be used. Mainly used to prepare flavors such as apples, pears, apricots, peaches, black spikes of currants and roses. It is used as an improvement in rose, rose, and sweet osmanthus that need to be fragrant. It is also suitable for lily of the valley, tuberose, orange blossom, fragrant Wei, lavender, and citrus cologne. It can also be used in the preparation of artificial geranium oil, orange leaf oil and lavender oil. At low concentrations, the geranium has sweet fruit green and wood spice, and is suitable for edible flavors such as apples, apricots, peaches and citrus. The product has a fresh rose aroma. Can be used in rose, orange blossom, lavender, fragrant, fragrant leaves and other flavor, is also a necessary raw material for the preparation of artificial rose oil or neroli oil, and can be well blended with orange leaf oil, can be used to mix soap, daily cosmetics essence. This product has strong irritation and should not be used in large quantities. |
| Production method | It is prepared by esterification of geraniol calcium chloride as an object with formic acid. It can also be obtained by esterification of geraniol and anhydrous formic acid in the presence of trace sulfuric acid under cooling conditions. It is mixed with geraniol and anhydrous formic acid at a ratio of 2:1, and an appropriate amount of mineral acid is added as a catalyst. It is left at room temperature for 8 days. The product is washed, neutralized, and then vacuum distilled to obtain pure product. |
Last Update：2024-04-09 20:52:54
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