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| | Methyl 4-methylbenzoate Basic information |
| | Methyl 4-methylbenzoate Chemical Properties |
| Melting point | 32-35 °C (lit.) | | Boiling point | 103-104 °C/15 mmHg (lit.) | | density | 1.06 | | vapor density | 4.7 (vs air) | | vapor pressure | 1 mm Hg ( 39 °C) | | refractive index | 1.5002 (estimate) | | Fp | 90 °C | | storage temp. | Sealed in dry,Room Temperature | | solubility | Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly) | | form | Solid | | color | White to Off-White | | Odor | Very tenacious, powerful, sweet anisic-floral odor with some resemblance to notes in Ylang-Ylang. | | Odor Type | anisic | | explosive limit | 1-9.5%(V) | | Water Solubility | <0.1 g/100 mL at 22 ºC | | BRN | 1100609 | | Henry's Law Constant | 2.6×10-1 mol/(m3Pa) at 25℃, Zhang et al. (2010) | | Dielectric constant | 4.3(33℃) | | Stability: | Unstable in Solution | | Cosmetics Ingredients Functions | PERFUMING | | InChI | 1S/C9H10O2/c1-7-3-5-8(6-4-7)9(10)11-2/h3-6H,1-2H3 | | InChIKey | QSSJZLPUHJDYKF-UHFFFAOYSA-N | | SMILES | COC(=O)c1ccc(C)cc1 | | LogP | 2.7 at 25℃ | | CAS DataBase Reference | 99-75-2(CAS DataBase Reference) | | NIST Chemistry Reference | Benzoic acid, 4-methyl-, methyl ester(99-75-2) | | EPA Substance Registry System | Methyl-p-toluate (99-75-2) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 37/39-26-36 | | WGK Germany | 2 | | RTECS | XU2150000 | | Autoignition Temperature | 932 °F | | TSCA | TSCA listed | | HS Code | 29163900 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Skin Irrit. 2 | | Hazardous Substances Data | 99-75-2(Hazardous Substances Data) | | Toxicity | LD50 oral in rat: 3300mg/kg |
| | Methyl 4-methylbenzoate Usage And Synthesis |
| Chemical Properties | white low melting crystalline solid and/or | | Uses | Organic synthesis. | | Uses | Methyl p-toluate has been employesd as catalyst to investigate the effect of internal/external donor pair in high-yield catalysts for propylene polymerization. | | Application | Methyl 4-methylbenzoate offers interesting and pleasant variations
in the Methylbenzoate theme in Ylang-Ylang,
and it introdums powerful, floral notes in soap
and detergent perfumes or, thanks to its low
cost, it may be used even in fragrances for
masking of industrial odors. | | Synthesis Reference(s) | The Journal of Organic Chemistry, 54, p. 1144, 1989 DOI: 10.1021/jo00266a028
Synthetic Communications, 20, p. 3273, 1990 | | General Description | Opaque colorless to white shiny crystalline solid. Intense unpleasant odor. | | Air & Water Reactions | Insoluble in water. | | Reactivity Profile | Methyl 4-methylbenzoate is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. | | Fire Hazard | Methyl 4-methylbenzoate is combustible. |
| | Methyl 4-methylbenzoate Preparation Products And Raw materials |
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