1,4-DIOXACYCLOHEPTADECANE-5,17-DIONE
Ethylene Brassylate
CAS: 105-95-3;91462-25-8
Molecular Formula: C15H26O4
1,4-DIOXACYCLOHEPTADECANE-5,17-DIONE - Names and Identifiers
| Name | Ethylene Brassylate |
| Synonyms | Musk-T Musk T AI3-24589 Astratone FEMA 3543 NSC 46155 CCRIS 9097 BRN 0212344 FEMA No. 3543 UNII-9A87HC7ROD EINECS 203-347-8 Ethyl brassylate Emeressence 1150 Ethylene Bassylate Ethylene Brassylate Ethylene tridecanedioate Ethylene undecane dicarboxylate 1,3-dioxacyclohexadecane-4,16-dione 1,4-Dioxa-5,17-cyclo-heptadecandione 1,4-Dioxacycloheptadecane-5,17-dione 1,4-DIOXACYCLOHEPTADECANE-5,17-DIONE Ethylene glycol, cyclic tridecanedioate 1,13-TRIDECANEDIOIC ACID ETHYLENE ESTER Tridecanedioic acid, cyclic ethylene ester Ethylene glycol brassylate, cyclic diester Cyclo-1,13-ethylenedioxytridecan-1,13-dione 4-19-00-01936 (Beilstein Handbook Reference) Tridecanedioic acid, cyclic ethylene ester (8CI) 1,1'-undecanedicarboxylicacid,esterwithethyleneglycol 1,11-Undecanedicarboxylic acid, ester with ethylene glycol 1,1'-Undecanedicarboxylic acid, ester with ethylene glycol |
| CAS | 105-95-3 91462-25-8 |
| EINECS | 203-347-8 |
| InChI | InChI=1/C14H24O4/c15-13-10-8-6-4-2-1-3-5-7-9-11-14(16)18-12-17-13/h1-12H2 |
1,4-DIOXACYCLOHEPTADECANE-5,17-DIONE - Physico-chemical Properties
| Molecular Formula | C15H26O4 |
| Molar Mass | 270.36 |
| Density | 1.042g/mLat 25°C(lit.) |
| Melting Point | -8 °C |
| Boling Point | 138-142°C1mm Hg(lit.) |
| Flash Point | 200°F |
| JECFA Number | 626 |
| Water Solubility | 14.8mg/L at 20℃ |
| Vapor Presure | 0.017Pa at 20℃ |
| Appearance | clear liquid |
| Color | Colorless to Light yellow |
| Refractive Index | n20/D 1.47(lit.) |
| Physical and Chemical Properties | Appearance: colorless transparent liquid aroma: strong Musk aroma, long-lasting aroma, with oil breath. Boiling Point: 332 ℃ Melting Point: 5 ℃ flash point (closed):74 ℃ refractive index ND20:1.439-1.443 density d2525:0.830-0.836 is not stable in alkaline, stable in acidic medium. It is widely used in the formulation of perfume, Essence, soap and cosmetic essence. |
| Use | Used as fixative and synergist of plant flower fragrance |
1,4-DIOXACYCLOHEPTADECANE-5,17-DIONE - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 38 - Irritating to the skin |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 2 |
| RTECS | YQ1927500 |
| HS Code | 29171900 |
| Toxicity | Both the acute oral LD50 value in rats and the dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1973). |
1,4-DIOXACYCLOHEPTADECANE-5,17-DIONE - Upstream Downstream Industry
| Raw Materials | Ethylene glycol |
1,4-DIOXACYCLOHEPTADECANE-5,17-DIONE - Reference Information
| FEMA | 3543 | ETHYLENE BRASSYLATE |
| LogP | 4.3 at 25℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Musk T | Musk T has a strong Musk aroma, a long-lasting aroma, but with a fatty flavor. Appearance is liquid, melting point 5 deg C, boiling point 332 deg C, 138~142 deg C/133Pa. According to the information provided by RIFM, the acute toxicity data of Musk T: oral LD50>5g/kg (rats), skin test LD50>5g/kg (rabbits). Musk T is an important variety of Musk flavor, the chemical name is tridecanedioic acid cycloethanedioic acid vinegar, also known as Coulomb Musk, it belongs to high value-added fine chemical products, is an excellent fixative, good diffusion, long-lasting fragrance. It is widely used in perfume, cosmetic and soap flavor formulations. There are no restrictions on IFRA. Musk T is the largest variety of macrocyclic musk, the annual output of about 200T, accounting for about half of the total production of macrocyclic musk, the main manufacturer is Japan high sand spices company. The name Musk may be derived from the unique aroma of the glandular secretions of male musk deer in Southeast Asia, which were used to make rare fragrances in the 5th century. Musk has always been regarded as the "King of spices" by the spice industry. Musk has an elegant, gentle, deep and vivid aroma, and has a good garden function and perfumery ability in blending spices. |
| synthesis method | Musk T can be polymerized from tridecanedioic acid (Brazil-based acid) and ethylene glycol, it was then depolymerized and cyclized (Hebei chemical industry, 1992, No. 4,28). Tridecanedioic acid, which is a raw material for producing Musk T, is produced by three methods. One of the methods is the synthetic route of 11 enoic acid. Because the synthetic route is long, the total yield is low (~ 40%), and the cost is high, it is not used in practice. The second method is the oxidation of N-tridecane by fermentation. The method has the advantages of easy availability of raw materials, simple process and low cost. The disadvantage is that the purity of the product is not high (<95%), and in the fermentation process will produce some new by-product impurities that are extremely difficult to remove, which will result in low purity of Musk T products, she has heterogenous breath. The third method is the erucic acid ozonation route. The advantages of this method are that the raw materials are easy to obtain, the process steps are few, the total yield is more than 48%, the cost is low, and the product purity is high (96% ~ 50%) ~ 98%), and the high purity can be improved by recrystallization of toluene. Therefore, it can be considered that the method is the most promising. The depolymerization of polyester is the key technology in the synthesis of Musk T. The first step is to select an efficient depolymerization catalyst in order to obtain a high yield of the product. In order to ensure the good heat transfer effect of the reactor in industrial production, it is very important to select an effective heating method and the related stirring device. |
| content analysis | as determined by Ester determination method (OT-18-1), sample size 1.1g, equivalent factor (e) 67.59. Or according to Gas chromatography (GT-10-4) with non-polar column method. |
| toxicity | GRAS(FEMA;FDA,§ 172.515,2000). |
| usage limit | FEMA(mg/kg): baked goods, frozen milk, soft candy, gelatin and pudding, no alcohol beverage, 2.0. Moderate limits (FDA,§ 172.515,2000). |
| Use | flavorant. Used in vanilla, cinnamon, cherry, tropical fruit (trace), etc. This product is an effective fragrance preservative for spices, used in soap, toilet water, detergent, etc. used as fixative and synergist of plant flower fragrance |
| production method | tridecanedioic acid and ethylene glycol were heated to 200 ° C. Or higher to become a cyclic polyester. The macrocyclic monomer is distilled off by addition of a catalyst and heating to a temperature above 0.13 ° C. At a reduced pressure of 3千帕 and 270. polyester was synthesized by condensation of αω-tridecanedioic acid with ethylene glycol and then Catalyzed Depolymerization. |
Last Update：2024-04-09 15:16:45
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View History
1,4-DIOXACYCLOHEPTADECANE-5,17-DIONE
3-ISOPROPOXY-1-BROMOBENZENE
Pyriclor
123564-53-4
N-OCTADECAMETHYLDIMETHOXYSILANE
四甲基丙二胺
HYDROXY CITRIC ACID SYNTHETIC
布昔洛韦
(tert-Butoxycarbonyloxy)benzene
精萘
3-ISOPROPOXY-1-BROMOBENZENE
Pyriclor
123564-53-4
N-OCTADECAMETHYLDIMETHOXYSILANE
四甲基丙二胺
HYDROXY CITRIC ACID SYNTHETIC
布昔洛韦
(tert-Butoxycarbonyloxy)benzene
精萘
Raw Materials for 1,4-DIOXACYCLOHEPTADECANE-5,17-DIONE