(3R,4AS,5R)-3-ISOPROPENYL-4A,5-DIMETHYL-1,2,3,4,4A,5,6,7-OCTAHYDRO-NAPHTHALENE
4alpha,10alpha-Dimethyl-6beta-isopropyl-delta1,9-octalin
CAS: 4630-07-3
Molecular Formula: C15H24
(3R,4AS,5R)-3-ISOPROPENYL-4A,5-DIMETHYL-1,2,3,4,4A,5,6,7-OCTAHYDRO-NAPHTHALENE - Names and Identifiers
| Name | 4alpha,10alpha-Dimethyl-6beta-isopropyl-delta1,9-octalin |
| Synonyms | Valencen FEMA 3443 VALENCENE VALENCENE 85 (+)-VALENCENE 7beta,8aalpha)]-theta-(1alph 4alpha,10alpha-Dimethyl-6beta-isopropyl-delta1,9-octalin (3R,4AS,5R)-4A,5-DIMETHYL-3-ISOPROPENYL-1,2,3,4,4A,5,6,7-OCTAHYDRONAPHTHALENE (3R,4AS,5R)-3-ISOPROPENYL-4A,5-DIMETHYL-1,2,3,4,4A,5,6,7-OCTAHYDRO-NAPHTHALENE |
| CAS | 4630-07-3 |
| EINECS | 225-047-6 |
| InChI | InChI=1/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3 |
(3R,4AS,5R)-3-ISOPROPENYL-4A,5-DIMETHYL-1,2,3,4,4A,5,6,7-OCTAHYDRO-NAPHTHALENE - Physico-chemical Properties
| Molecular Formula | C15H24 |
| Molar Mass | 204.35 |
| Density | 0.92g/mLat 25°C(lit.) |
| Boling Point | 274°C(lit.) |
| Flash Point | >230°F |
| JECFA Number | 1337 |
| Solubility | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| Vapor Presure | 0.0113mmHg at 25°C |
| Appearance | Oil |
| Specific Gravity | 0.92 |
| Color | Colourless |
| BRN | 3539153 |
| Storage Condition | 2-8°C |
| Stability | Light Sensitive |
| Sensitive | 1: no significant reaction with aqueous systems |
| Refractive Index | n20/D 1.504(lit.) |
| Physical and Chemical Properties | Colorless liquid with citrus-like aroma. The boiling point is 123 °c (1466Pa), the refractive index (nD20) is 1.5057, the relative density (d420) is 0.920, and the flash point is 100 °c. Natural products are found in citrus fruits and cocoa. |
(3R,4AS,5R)-3-ISOPROPENYL-4A,5-DIMETHYL-1,2,3,4,4A,5,6,7-OCTAHYDRO-NAPHTHALENE - Risk and Safety
| Safety Description | S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
(3R,4AS,5R)-3-ISOPROPENYL-4A,5-DIMETHYL-1,2,3,4,4A,5,6,7-OCTAHYDRO-NAPHTHALENE - Reference Information
| FEMA | 3443 | VALENCENE |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Overview | Valencia orange is a terpene compound and is a large class of natural molecules with very different structures. There are the most diverse monoterpenes and sesquiterpenes in the plant kingdom. Usually they play a role in plants resisting diseases and insect pests and herbivores and attracting pollinating insects. |
| Preparation | A method for constructing a recombinant Yerzia lipolysis for the production of Valencian citrine and nokazone, step: through homologous recombination method, introducing the Valencian citrine synthase coding gene CVS expression box, the nokazone synthase coding gene CYP706M1 expression box and the cytochrome P450 reductase coding gene AtCPR expression box to the rDNA site of Yerzia lipolysis to obtain the production of Valencian citrine and nokazone recombinant Yerzia lipolysis 1; experiments have proved that through the method of homologous recombination, the obtained recombinant lipolysis yeasts for the production of Valencian orange and nokatone can increase the yield of Valencian orange and nokatone, with a minimum of 6.5mg/L of Valencian orange and 30 μg/L of nokatone, and a maximum of 18mg/L and 0.5mg/L. This method provides a basis for the artificial synthesis of Valencian orange and nokatone. |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA: beverages, alcoholic beverages, cold drinks, candy, baked goods, jelly, pudding, gum sugar, milk, dairy products, cereal products, all 0.9 mg/kg. |
| use | GB 2760-1996 specified as temporarily allowed food spices. |
| Production method | It is obtained by reduction reaction from round pomelone as the starting material. |
Last Update：2024-04-09 21:04:16
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