METHYL TRANS-CINNAMATE
methyl cinnamate
CAS: 103-26-4
Molecular Formula: C10H10O2
METHYL TRANS-CINNAMATE - Names and Identifiers
| Name | methyl cinnamate |
| Synonyms | FEMA 2698 methyl cinnamate METHYL CINNAMATE METHYL TRANS-CINNAMATE (2E)-3-phenyloct-2-enal METHYL 3-PHENYLACRYLATE NATURAL METHYL CINNAMATE METHYL 3-PHENYLPROPENOATE Methyl 3-phenyl propenoate CINNAMIC ACID METHYL ESTER methyl 3-phenylprop-2-enoate METHYL TRANS-3-PHENYLACRYLATE METHYL-3-PHENYL PROP-2-ENOATE METHYL TRANS-3-PHENYLPROPENOATE methyl (E)-3-phenylprop-2-enoate methyl (2Z)-3-phenylprop-2-enoate (2E)-3-(2-methylphenyl)prop-2-enoate 2-Propenoic acid, 3-phenyl-, methyl ester |
| CAS | 103-26-4 |
| EINECS | 203-093-8 |
| InChI | InChI=1/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+ |
| InChIKey | CCRCUPLGCSFEDV-BQYQJAHWSA-N |
METHYL TRANS-CINNAMATE - Physico-chemical Properties
| Molecular Formula | C10H10O2 |
| Molar Mass | 162.19 |
| Density | 1.092 |
| Melting Point | 33-38 °C (lit.) |
| Boling Point | 260-262 °C (lit.) |
| Flash Point | >230°F |
| JECFA Number | 658 |
| Water Solubility | insoluble |
| Solubility | Soluble in alcohol, ether, benzene, olive oil and paraffin. There are two isomers, cis and trans. |
| Vapor Presure | 0.73Pa at 25℃ |
| Appearance | White crystal |
| Specific Gravity | 1.092 |
| Color | White to light yellow |
| Merck | 14,2299 |
| BRN | 386468 |
| Storage Condition | Sealed in dry,Room Temperature |
| Sensitive | Keep away from fire and heat source |
| Refractive Index | 1.5771 |
| MDL | MFCD00008458 |
| Physical and Chemical Properties | White to yellowish crystals, cherry and Ester-like flavor. Melting Point 34. Boiling point 260 degrees C, refractive index (nD20)1.5670. Relative density (d435)1.0700. Soluble in ethanol, ether, glycerol, propylene glycol, most non-volatile oil and mineral oil, insoluble in water. Natural products are contained in basil oil (up to 52%), galangal oil and cinnamon oil etc. |
| Use | Mainly used for the preparation of cherry, strawberry and grape flavor |
METHYL TRANS-CINNAMATE - Risk and Safety
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 1 |
| RTECS | GE0190000 |
| TSCA | Yes |
| HS Code | 29163990 |
| Toxicity | Moderately toxic by ingestion . The oral LD50 for rats is 2610 mg / kg . It is combustible as a liquid, and when heated to decomposition it emits acrid smoke and irritating fumes. |
METHYL TRANS-CINNAMATE - Introduction
It has a strong fruity and balsam aroma, and there is a strawberry flavor when diluted. Insoluble in water, soluble in ethanol, ether, glycerin and most mineral oils
Last Update：2022-10-16 17:11:36
METHYL TRANS-CINNAMATE - Security information
| WGK Germany | 1 |
| RTECS number | GE0190000 |
Last Update：2024-04-10 22:29:15
METHYL TRANS-CINNAMATE - Nature
| FEMA | 2698 | METHYL CINNAMATE |
| refractive index | 1.5766 |
| flash point | >230 °F |
| storage conditions | Sealed in dry,Room Temperature |
| morphology | neat |
Last Update：2024-04-09 01:59:49
METHYL TRANS-CINNAMATE - Reference Information
| FEMA | 2698 | METHYL CINNAMATE |
| LogP | 2.68 at 25℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| traits | methyl cinnamate is a white or yellowish crystalline substance. |
| properties | methyl cinnamate is soluble in most non-volatile oils and mineral oils, but insoluble in water. |
| Use | Methyl cinnamate can be used as a fixer, used to prepare carnations, oriental flavor flavors, used as fixers, used as daily chemical flavors: used in daily chemical products such as soap and detergent to prepare daily chemical flavors such as roses, narcissus, lavender, carnation, and lilac; used as edible flavors: in flavors and pastries, used to prepare edible flavors such as strawberries, grapes, cherries, peaches, cream, vanilla, etc. GB 2760-1996 stipulates that it is temporarily allowed to use edible spices. It has good fragrance fixing effect. Mainly used to prepare cherry, strawberry and grape flavors. It is used as a fixer in the spice industry. It is often used to blend carnations, oriental floral flavors, soaps, detergents, flavors and pastries. As an intermediate in organic synthesis, it is mainly used in the pharmaceutical industry. mainly used to prepare flavors such as cherries, strawberries and grapes |
| content analysis | determined by method 1 in ester determination method (OT-18). The amount of sample taken is 1g, and the equivalent factor (e) in the calculation is 81.10. Or by gas chromatography (GT-10-4) with non-polar column method. |
| toxicity | ADI 1.25(CE). LD502610 mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): soft drink 1.9; Cold drink 3.8; Candy 8.7; Baked food 13; Pudding 1.7~14; Gum candy 2.7~40; Seasoning 0.40. Moderate limit (FDA § 172.515,2000). |
| production method | obtained by esterification of cinnamic acid and methanol. The mixture of cinnamic acid, methanol and sulfuric acid was heated and refluxed for 5h to add excess methanol. Cooling, removing the acid layer, washing with 10% sodium carbonate solution after washing with water, and then washing with water to neutral. The crude product is obtained by recrystallization or vacuum distillation [collecting 132-134 ℃(2.0kPa) fraction] to obtain the finished product of methyl cinnamate. The yield is about 70%. It is obtained by fractionation after heating and esterification of cinnamic acid and methanol under the catalysis of hydrochloric acid. |
Last Update：2024-04-09 15:16:46
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