paracresylacetate
P-cresyl acetate
CAS: 140-39-6
Molecular Formula: C9H10O2
paracresylacetate - Names and Identifiers
| Name | P-cresyl acetate |
| Synonyms | Narceol 4-tolylacetate p-tolyl acetate P-TOLYL ACETATE 4-Acetoxytoluene P-ACETOXYTOLUENE p-Cresol acetate P-CRESYL ACETATE P-cresyl acetate paracresylacetate Paracresyl acetate Acetic acid p-tolyl ester |
| CAS | 140-39-6 |
| EINECS | 205-413-1 |
| InChI | InChI=1/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3 |
paracresylacetate - Physico-chemical Properties
| Molecular Formula | C9H10O2 |
| Molar Mass | 150.17 |
| Density | 1.047g/mLat 25°C(lit.) |
| Melting Point | 48.5 °C |
| Boling Point | 210-211°C(lit.) |
| Flash Point | 194°F |
| JECFA Number | 699 |
| Water Solubility | 1.195g/L at 25℃ |
| Solubility | Insoluble in water |
| Vapor Presure | 21.864Pa at 25℃ |
| Appearance | powder to lump to clear liquid |
| Specific Gravity | 1.052 (20/4℃) |
| Color | White or Colorless to Almost white or Almost colorless |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.501(lit.) |
| Physical and Chemical Properties | Boiling Point: 210 - 211 density: 1.047 refractive index: 1.5 Appearance: colorless liquid |
| Use | Used as a flavoring agent |
paracresylacetate - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | NA 1993 / PGIII |
| WGK Germany | 2 |
| RTECS | AJ7570000 |
| Toxicity | The acute oral LD50 in rats was reported as 1.9 (1.12-3.23) g/kg (Denine, 1973). The acute dermal LD50 in rabbits was reported as 2.1 (1.24-3.57) g/kg (Denine, 1973). |
paracresylacetate - Reference Information
| FEMA | 3073 | P-TOLYL ACETATE |
| LogP | 2.11 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) |
| content analysis | was determined by Method 2 in the ester determination method (OT-18). The amount of the sample used was 1.2g. The titration time was changed to phenol red test solution (TS-166) as an indicator. The equivalence factor (e) in the calculation is taken as 75.09. Preferably, it is determined by a GT-10-4 non-polar column method. |
| toxicity | GRAS(FEMA). Ld501900 mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): soft drinks 0.5~1.0; Cold drinks 1.3; Candy 4.3; baked Food 4.4; Gum 0.30~220; Condiment 10. Moderate limits (FDA § 172.515,2000). |
| Use | is suitable for use in Narcissus, yellow narcissus and large-flowered jasmine. In the white blue, purple clove, lily of the valley, Hyacinth, fragrant Loran, ylang ylang type is also appropriate, there is an increase in the strong flower flavor of the utility, the dosage is generally less than 1%, in the food flavor is sometimes used in the nut flavor. blending spices, mixing ylang ylang, narcissus, kanangjia ylang, Lonicera japonica and other flavors. A sufficient effect was obtained at a concentration of 1% or less. Small amounts are used for food essences. used as a flavoring agent GB 2760 a 96 for the permitted use of edible spices. Mainly used in the preparation of banana, cherry, fruit and other types of fruit flavor. |
| production method | is obtained by direct esterification of p-phenol with acetic anhydride. p-cresol is reacted with acetic anhydride in the presence of a small amount of sulfuric acid: After the reaction, it is washed with water and distilled to obtain a finished product. |
Last Update：2024-04-10 22:29:15
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