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| IUPAC name : | (4-methoxyphenyl)methyl propanoate |
| InChI : | InChI=1/C11H14O3/c1-3-11(12)14-8-9-4-6-10(13-2)7-5-9/h4-7H,3,8H2,1-2H3 |
| InChIKey : | YWIJRJQYADFRTL-UHFFFAOYAV |
| SMILES : | CCC(=O)OCC1=CC=C(C=C1)OC |
| cas number : | 7549-33-9 |
| (EINECS) number : | 231-433-5 |
| fema number : | 2102 |
| coe number : | 426 |
| jecfa number : | 874 |
| fl. number : | 09.145 |
| molar refractivity : | 53.52 ± 0.3 cm3 |
| parachor : | 444.8 ± 4.0 cm3 |
| index of refraction : | 1.497 ± 0.02 |
| surface tension : | 35.1 ± 3.0 dyne/cm |
| density : | 1.062 ± 0.06 g/cm3 |
| polarizability : | 21.21 ± 0.5 10-24cm3 |
| XlogP : | 2.10 |
| XlogP3 : | 2.70 |
| molecular weight : | 194.2270600 (IUPAC) |
| formula : | C11 H14 O3 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.50.3000 |
| fda reg : | 172.515 |
Suppliers :
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| Cargill - Alfrebro : | ANISYL PROPIONATE
natural, Kosher |
| Inoue : | ANISYL PROPIONATE
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| Penta : | anisyl propionate
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| Sigma-Aldrich-SAFC : | Anisyl propionate
≥98%, Kosher Odor: floral; fruity; vanilla |
| Vigon : | Anisyl Propionate
Odor: SWEET FRUITY, FLORAL AND SOMEWHAT VANILLA-LIKE |
organoleptics :
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| odor type : | fruity |
| odor strength : | medium |
odor description :¹ at 100.00 %. | herbal fruity anisic cherry peach |
| odor sample from : | Nickstadt Moeller, Inc. |
properties :
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| appearence : | pale yellow clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.05300 to 1.07400 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.762 to 8.937
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| refractive index : | 1.50000 to 1.50900 @ 20.00 °C.
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| boiling point : | 277.00 °C. @ 760.00 mm Hg
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| boiling point : | 100.00 to 103.00 °C. @ 0.50 mm Hg
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| acid value : | 1.00 max. KOH/g
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| flash point : | > 230.00 °F. TCC ( > 110.00 °C. )
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| logP (o/w) : | 2.38 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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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 - Wear suitable protective clothing.
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| Oral Toxicity(LD50) : |
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Oral-Rat 3330.00 mg/kg (Wohl, 1974d)
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >5000.00 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 717, 1975.
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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) : | 5.00 (μg/capita/day) |
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| recommendation for para-anisyl propionate usage levels up to : |
| | 6.0000 % in the fragrance concentrate.
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| recommendation for para-anisyl propionate usage levels up to : |
| | 20.0000 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... |
| 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-methoxyphenyl)methyl propanoate
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| (EINECS) number : | 231-433-5 |
| RTECS : | DA4934015 for 7549-33-9 |
| chemidplus : | 007549339 |
| EPA Substance Registry Services : | 7549-33-9 |
| dtp/nci : | 46113 |
references :
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| | (4-methoxyphenyl)methyl propanoate
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| fl. number : | 09.145 |
| jecfa number : | 874 |
| NIST Chemistry WebBook : | 1244006827 |
| pubchem : | 197675 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1984)¹ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |