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| IUPAC name : | (4-methylphenyl) acetate |
| InChI : | InChI=1/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3 |
| InChIKey : | CDJJKTLOZJAGIZ-UHFFFAOYAR |
| SMILES : | CC1=CC=C(C=C1)OC(=O)C |
| cas number : | 140-39-6 |
| (EINECS) number : | 205-413-1 |
| beilstein number : | 1908125 |
| fema number : | 3073 |
| coe number : | 226 |
| jecfa number : | 699 |
| fl. number : | 09.036 |
| molar refractivity : | 42.41 ± 0.3 cm3 |
| parachor : | 346.4 ± 4.0 cm3 |
| index of refraction : | 1.503 ± 0.02 |
| surface tension : | 34.1 ± 3.0 dyne/cm |
| density : | 1.047 ± 0.06 g/cm3 |
| polarizability : | 16.81 ± 0.5 10-24cm3 |
| XlogP : | 2.20 |
| molecular weight : | 150.1745000 (IUPAC) |
| formula : | C9 H10 O2 |
| BioActivity Analysis : | 97700 |
| NMR Predictor : | Predict |
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| export tariff code : | 2916.35.1500 |
| fda reg : | 172.515 |
Suppliers :
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| Berje : | paraCresyl Acetate
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| Inoue : | P-CRESYL ACETATE
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| Penta : | p-tolyl acetate
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| Sigma-Aldrich-SAFC : | p-Tolyl acetate
≥98%, FCC |
| Vigon : | Cresyl Acetate Para Para Methyl Phenyl Acetate
Odor: STRONG, FLORAL |
organoleptics :
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| odor type : | floral |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description :¹ at 1.00 % in dipropylene glycol. | narcissus phenolic animal |
| odor sample from : | Berje Inc. |
| substantivity : | 36 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 1.03200 to 1.04000 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.587 to 8.654
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| specific gravity : | 1.03300 to 1.04100 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.606 to 8.672
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| refractive index : | 1.50000 to 1.50500 @ 20.00 °C.
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| boiling point : | 210.00 to 211.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| vapor pressure : | 1.46650 mm/Hg @ 20.00 °C. |
| flash point : | 194.00 °F. TCC ( 90.00 °C. )
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| logP (o/w) : | 2.11 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 22 - Harmful if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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| Human experience : | 4 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : |
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Oral-Rat 1900.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit 2100.00 mg/kg
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | ND (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 70.00 (μg/capita/day) |
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| recommendation for para-cresyl acetate usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for para-cresyl acetate usage levels up to : |
| | 220.0000 ppm in the flavor.
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safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| msds : | msds |
| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | (4-methylphenyl) acetate
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| (EINECS) number : | 205-413-1 |
| RTECS : | AJ7569000 for 140-39-6 |
| chemidplus : | 000140396 |
| EPA Substance Registry Services : | 140-39-6 |
| dtp/nci : | 43244 |
references :
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| | (4-methylphenyl) acetate
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| fl. number : | 09.036 |
| jecfa number : | 699 |
| NIST Chemistry WebBook : | 2992273995 |
| pubchem : | 151949 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1981)¹ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| | C of A |