| P-TOLYL ACETATE Basic information |
| Product Name: | P-TOLYL ACETATE |
| Synonyms: | P-ACETOXYTOLUENE;P-CRESYL ACETATE;P-TOLYL ACETATE;4-Acetoxytoluene;Narceol;Paracresyl acetate;paracresylacetate;p-Cresol acetate |
| CAS: | 140-39-6 |
| MF: | C9H10O2 |
| MW: | 150.17 |
| EINECS: | 205-413-1 |
| Product Categories: | Organics |
| Mol File: | 140-39-6.mol |
| P-TOLYL ACETATE Chemical Properties |
| Melting point | 48.5 °C |
| Boiling point | 210-211 °C(lit.) |
| density | 1.047 g/mL at 25 °C(lit.) |
| vapor pressure | 21.864Pa at 25℃ |
| refractive index | n |
| FEMA | 3073 | P-TOLYL ACETATE |
| Fp | 194 °F |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Insoluble in water |
| form | powder to lump to clear liquid |
| Specific Gravity | 1.052 (20/4℃) |
| color | White or Colorless to Almost white or Almost colorless |
| Water Solubility | 1.195g/L at 25℃ |
| JECFA Number | 699 |
| LogP | 2.11 at 25℃ |
| CAS DataBase Reference | 140-39-6(CAS DataBase Reference) |
| NIST Chemistry Reference | Acetic acid, 4-methylphenyl ester(140-39-6) |
| EPA Substance Registry System | Acetic acid, 4-methylphenyl ester (140-39-6) |
| Safety Information |
| Hazard Codes | Xn |
| Risk Statements | 22-36/37/38 |
| Safety Statements | 26-36/37/39 |
| RIDADR | 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). |
| MSDS Information |
| Provider | Language |
|---|---|
| SigmaAldrich | English |
| P-TOLYL ACETATE Usage And Synthesis |
| Chemical Properties | Colorless, oily liquid; odor similar to phenol. distillation with steam. Insoluble in water; soluble in common organic solvents. Combustible. |
| Chemical Properties | p-Tolyl acetate has a strong, floral odor (narcissus) with a characteristic honey-like flavor |
| Occurrence | Reported as a constituent of the essential oils of wallflower, cananga and ylang-ylang. |
| Uses | Perfumery, flavoring. |
| Uses | p-Tolyl acetate has been used in the total synthesis of (?)-incrustoporin. |
| Preparation | By acetylation of p-cresol. |
| Aroma threshold values | Detection: 25 ppb |
| Synthesis Reference(s) | The Journal of Organic Chemistry, 43, p. 2417, 1978 DOI: 10.1021/jo00406a025 |
| General Description | The Fries rearrangement of p-tolyl acetate has been investigated using the H-form of various zeolites as catalysts. Mechanism of photo-Fries rearrangement of p-tolyl acetate has been studied. |
| Flammability and Explosibility | Notclassified |
| Safety Profile | Moderately toxic by ingestion and skin contact. Combustible liquid. When heated to decomposition it emits toxic smoke and irritating fumes. |
| P-TOLYL ACETATE Preparation Products And Raw materials |
| Raw materials | p-Cresol-->1,1'-Biphenyl, 2,2'-dimethoxy-5,5'-dimethyl--->benzyl p-tolyl ether-->P-TOLYLTRIMETHYLSILANE-->Acetyl bromide-->4'-Methylacetophenone-->carbon monoxide-->Acetyl chloride-->Iodomethane-->Vinyl acetate-->4-Methylanisole |
| Preparation Products | 4-HYDROXY-6-METHYLCOUMARIN-->O-TOLYL ACETATE-->4-Acetoxybenzoic acid |
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