2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-
Damascone
CAS: 23696-85-7
Molecular Formula: C13H18O
2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- - Names and Identifiers
2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- - Physico-chemical Properties
| Molecular Formula | C13H18O |
| Molar Mass | 190.28 |
| Density | 0.800-0.830 g/mL at 25 °C (lit.) |
| Boling Point | 275.6±10.0 °C(Predicted) |
| Flash Point | 62°F |
| JECFA Number | 387 |
| Solubility | Soluble in ethyl acetate, ether, acetone and other organic solvents, soluble in ethanol, insoluble in water. |
| Vapor Presure | 0.00503mmHg at 25°C |
| Appearance | Liquid |
| Color | yellow |
| Storage Condition | 2-8°C |
| Stability | Light Sensitive |
| Sensitive | Easily absorbing moisture |
| Refractive Index | 1.350-1.380 |
| MDL | MFCD00101024 |
| Physical and Chemical Properties | Light yellow to yellow liquid. Rose and plum, round grapefruit, raspberry and other fruit aroma. Boiling point 60 degrees C (0.13). Natural products are present in rose oil, black tea, raspberry oil, etc. |
| Use | For the preparation of flavor |
2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- - Risk and Safety
| Risk Codes | R11 - Highly Flammable R43 - May cause sensitization by skin contact |
| Safety Description | S7 - Keep container tightly closed. S16 - Keep away from sources of ignition. S36/37 - Wear suitable protective clothing and gloves. |
| UN IDs | UN 1170 |
| WGK Germany | 3 |
| HS Code | 33021090 |
2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- - Reference
| Reference Show more | 1. [IF=7.514] Yin Zhu et al."Assessment of the contribution of chiral odorants to aroma property of baked green teas using an efficient sequential stir bar sorptive extraction approach."Food Chem. 2021 Dec;365:130615 2. [IF=5.279] Yujiao Cheng et al.Identification of Light-Induced Key Off-Flavors in Ponkan Mandarin Juice Using MDGC-MS/O and GC–MS/PFPD.J Agr Food Chem. 2021;69(47):14259–14269 |
2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- - Nature
Open Data Verified Data
colorless to pale yellow oily liquid. Molecular weight 190. 27, boiling point 116 -118 ℃(1.73kPa),57 ℃(0. 13kPa), relative density 0.942, refractive index 1. 5123. With a strong fragrance resembling a rose. Soluble in ethyl acetate, ether, acetone and other organic solvents, soluble in ethanol, insoluble in water.
Last Update：2024-01-02 23:10:35
2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- - Preparation Method
Open Data Verified Data
It is one of the main components of rose essential oil and can be isolated from rose essential oil.
Last Update：2022-01-01 11:14:42
2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- - Use
Open Data Verified Data
for the preparation of high-grade rose fragrance series of cosmetic essences.
Last Update：2022-01-01 11:14:42
2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- - Reference Information
| FEMA | 3420 | 1-(2,6,6-TRIMETHYLCYCLOHEXA-1,3-DIENYL)-2-BUTEN-1-ONE |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| introduction | marketone spices are compounds containing 13 carbon atoms and have a pleasant smell. they are a kind of precious spices that have developed rapidly in recent years and have been highly valued by scholars at home and abroad. Marketone spices generally include three isomers: α-margone, β-margone and γ-margone. Among them, the fragrance of α-margone is pleasant and pleasant. It has a fruity aroma. It is not only used as a perfumer for some high-end cosmetics, but also often used in food flavors. |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA: soft drinks, cold drinks, candy, baked goods, puddings, condiments and food spreads, all 0.2 mg/kg. |
| use | GB 2760-96 specifies edible spices that are allowed to be used. used to prepare essence |
| Production method | It is formed by condensation of bromoisopropylidene acetone and 1,3-pentadiene to remove hydrogen bromide and then dehydrate with acetaldehyde. |
Last Update：2024-04-09 21:11:58
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