NSC 404181
isobutyl cinnamate
CAS: 122-67-8
Molecular Formula: C13H16O2
NSC 404181 - Names and Identifiers
NSC 404181 - Physico-chemical Properties
| Molecular Formula | C13H16O2 |
| Molar Mass | 204.26 |
| Density | 1 g/mL at 25 °C (lit.) |
| Melting Point | 237 °F |
| Boling Point | 287 °C (lit.) |
| Flash Point | 237°F |
| JECFA Number | 664 |
| Vapor Presure | 0.00141mmHg at 25°C |
| Appearance | Transparent liquid |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.54(lit.) |
| MDL | MFCD00038289 |
| Physical and Chemical Properties | Colorless oily liquid. Sweet fruit aroma and oil flavor. Boiling point 287 °c. Miscible in ethanol, ether, chloroform and most non-volatile oils, slightly soluble in propylene glycol, insoluble in water. |
NSC 404181 - Risk and Safety
| WGK Germany | 2 |
| RTECS | GD9550000 |
| Toxicity | Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg(Levenstein, 1975). |
NSC 404181 - Reference Information
| FEMA | 2193 | ISOBUTYL CINNAMATE |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| overview | butyl p-chlorocinnamate (isobutyl benzoacrylate) is a colorless liquid with fresh fruit flavor. it is an important ester compound and is often used in edible spices and daily chemical spices. |
| properties | isobutyl cinnamate is colorless and transparent liquid, with aromatic, sweet and oily flavor. |
| essence and fragrance application | isobutyl cinnamate is also called isobutyl 3-phenyl acrylate, β-phenyl isobutyl acrylate, 3-phenyl isobutyl acrylate. It is naturally found in kumquat. It has a sweet fruit and balsam aroma, similar to spice, sweet amber aroma with a slight cocoa bean and fruit flavor. Taste characteristics: paste aroma, fruity aroma, similar to the sweet taste of red currant. Used for preparing cherry, cocoa, grape, honey, peach, vanilla and strawberry essence. |
| content analysis | method 1 was determined by method 1 in ester determination method (0T-18). The amount of sample taken is 1.4g. The equivalent factor (e) in the calculation is 102.1. Method 2 was determined by non-polar column method in gas chromatography (GT-10-4). |
| toxicity | ADI 1.25 mg/kg(CE). |
| usage limit | FEMA(mg/kg): soft drink 1.3; Cold drink 3.4; Candy 5.4; Baked food 5.4; Wine 2.0. Moderate limit (FDA § 172.515,2000). |
| use | GB 2760-1996 specified as allowed edible spices. It is mainly used to prepare currant, peach, strawberry, cherry, cocoa, chocolate and other flavors with strong aroma. It is often used as a mixture and modifier of rock rose products and amber fragrance-ambergris fragrance in essence formula. It can also be well coordinated with oak moss and tree moss products, patchouli oil, rock orchid oil, coumarin, jasmine aldehyde, nitro musk, etc. It is also commonly used in the formula of Oriental fragrance. It can also be used in chocolate, cherry, cocoa, peach, strawberry, Rubus and other edible flavors. |
| Production method | It is obtained by co-heating lauroyl chloride and isobutanol. |
Last Update：2024-04-09 02:00:06
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