2-(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl acetate
LIGNYL ACETATE
CAS: 128-51-8
Molecular Formula: C13H20O2
2-(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl acetate - Names and Identifiers
2-(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl acetate - Physico-chemical Properties
| Molecular Formula | C13H20O2 |
| Molar Mass | 208.3 |
| Density | 0.98g/mLat 25°C(lit.) |
| Boling Point | 253°C(lit.) |
| Flash Point | >230°F |
| Color | A colourless liquid with a sweet wood like odour of moderate tenacity |
| Refractive Index | n20/D 1.472(lit.) |
| Physical and Chemical Properties | Colorless liquid. Relative density of 0.980, boiling point of 234 deg C, soluble in ethanol and oil. With a fragrance of mild sweet pine fruit aroma, aroma is still transparent hair, also stay longer. |
| Use | Basically can be used to replace the linalyl acetate citrus flavor, vanilla, orange blossom, Gulong and other flavor and artificial preparation of bergamot oil. It can be used in cosmetics, soap, detergents and other daily products. |
2-(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl acetate - Risk and Safety
| WGK Germany | 3 |
| Toxicity | The acute oral LD50 value in rats was reported as 3 ml/kg (2.4-3.6 ml/ kg) (Moreno, 1972a). The acute dermal LD50 value in rabbits was reported as > 2 g/kg (Moreno, 1972b). |
2-(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl acetate - Study on the synthesis and oxidation of the ester of acetic acid
from VIP
Author:
Wang zonde , Xiao zhuanquan , Chen Jinzhu
Abstract:
from β-pinene, nobutol was synthesized and the yield of nobutol acetate was 61.4% and 84.4%, respectively. The two products were isolated by oxidation of nobuyl acetate with an acidic aqueous solution of chromium trioxide. After IR,MS,1HNMR and 13C NMR analysis, identified as 4-(1-methyl-1-hydroxyethyl)-1-cyclohexene-1-ethanolacetate and 4-(1-methyl-1-hydroxyethyl)-1-cyclohexene-1-ethanol. The GC content of the former is 50% ~ 60% of the reaction product, which is the main product of the reaction. It is the product of the four-membered ring of the acetate and then the hydration of the product, the latter is hydrolyzed from the former. Through GC-MS analysis, several other components with relatively high GC content in the reaction product were determined, mainly including three groups of isomers, which were 2, 3-epoxy-nobuacetic acid ester, 1-hydroxy-2, 3-epoxy-nobuacetic acid ester and 5-hydroxy-2, 3-epoxy-nobuacetic acid ester. The analysis results of the reaction products show that the reaction is mainly Quaternary ring cracking, and further hydration, in addition to a small amount of double bond epoxidation products, the products of these epoxidation may further undergo tertiary hydrogen oxidation at C- 1 and C- 5.
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Key words:
nobutoxide acetate; Chromium trioxide; oxidation
DOI:
10.3321/j.issn:0253-2417.2004.01.003
cited:
year:
2004
Last Update：2024-01-02 23:10:35
2-(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl acetate - SO2-4/ZrO2-TiO2 catalytic synthesis of n-butyl acetate under microwave irradiation
from VIP Journal Professional Edition
Author:
Luo Jinyue Liu Chuantao
Abstract:
with self-made nobutol and acetic acid as raw materials, solid superacid SO2-4/ZrO2-TiO2 as catalyst, toluene as water-carrying agent, under microwave irradiation, the effects of microwave irradiation conditions, catalyst preparation conditions and catalyst dosage on the yield of n-butyl acetate were investigated. The results showed that the microwave irradiation temperature, time and the preparation conditions and dosage of the catalyst had great influence on the yield of the ester. The optimized process conditions were as follows: the mass of nobutol was 20g, the molar ratio of alcohol to acid was 1:1.15, the microwave radiation temperature was 105 ℃, the microwave power was 650W, the radiation time was 85 min, the amount of catalyst SO2-4/ZrO2-TiO2 (mass ratio of Ti to Zr is 6:1, calcination temperature is 450 ℃) is 2.5 of the mass of nobutol ﹪, under these conditions, the yield of nobuyl acetate was 81.3 ﹪. In addition, the catalyst can be reused 4 times. Compared with the ordinary heating reaction, the time is shortened and the product yield is increased.
Key words:
nobutol acetate SO2-4/ZrO2-TiO2 microwave radiation catalytic synthesis
DOI:
10.3321/j.issn:0253-2417.2008.06.012
cited:
year:
2008
Last Update：2023-08-16 22:05:47
2-(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl acetate - Method for synthesis of nobuyl acetate
from Wanfang
Application (patent) number:
CN201510474510.7
applicant (patent):
Jiangxi win essence and fragrance technology collaborative innovation Co., Ltd.
inventor:
Zhang Zhifu , Ren Xiangrong , Yu Zhonghua
Abstract:
The invention discloses a method for the synthesis of nobutol acetate, which is characterized by comprising the following steps:(1) placing nobutol, acetic anhydride and catalyst in a reaction kettle, with acetate or proton acid as Catalyst, the amount of catalyst is 0.3% ~ 5% of the mass of the alcohol; The amount of acetic anhydride is 80% ~ 90% of the mass of the alcohol;(2) the temperature in the kettle is raised to 50~100 ℃, the stirring speed is controlled at 100 ~ 150r/min, the vacuum degree is 0.06-0.1MPa, and the reaction time is 5~15H. (3) the esterification reaction is finished, the autoclave was warmed to room temperature, washed with alkali, and then washed with water to obtain nobuyl acetate. The yield of the invention is significantly improved, the cost of subsequent alkali washing and the discharge of sewage are greatly reduced, and the post-treatment process is simplified; Finally, the production cost is significantly reduced.
Last Update：2023-08-16 22:05:47
2-(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl acetate - Reference Information
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| introduction | norb acetate is a widely used synthetic spice, which belongs to the downstream product of pinene. it has sweet and moist woody aroma and citrus flavor. Norb acetate is widely used in daily chemical essence formulations, with a maximum amount of 25%. |
| Preparation | Nopyl acetate is usually made from Nopyl alcohol and acetic anhydride through esterification. |
| use | can basically replace linalyl acetate citrus fragrance, fragrant Wei, orange blossom, cologne and other fragrance flavors and artificially prepared bergamot oil. Can be used in cosmetics, soap, detergent and other daily products. |
Last Update：2024-04-10 22:29:15
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