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| IUPAC name : | phenylmethyl propanoate |
| InChI : | InChI=1/C10H12O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 |
| InChIKey : | VHOMAPWVLKRQAZ-UHFFFAOYAI |
| SMILES : | CCC(=O)OCC1=CC=CC=C1 |
| (EINECS) number : | 204-559-3 |
| cas number : | 122-63-4 |
| fema number : | 2150 |
| coe number : | 413 |
| jecfa number : | 842 |
| fl. number : | 09.132 |
| molar refractivity : | 46.84 ± 0.3 cm3 |
| parachor : | 388.1 ± 4.0 cm3 |
| index of refraction : | 1.501 ± 0.02 |
| surface tension : | 35.7 ± 3.0 dyne/cm |
| density : | 1.034 ± 0.06 g/cm3 |
| polarizability : | 18.56 ± 0.5 10-24cm3 |
| xlogp : | 2.20 |
| molecular weight : | 164.2010800 |
| formula : | C10 H12 O2 |
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| export tariff code : | 2915.50.3000 |
| fda reg : | unspecified |
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Suppliers :
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| Cargill - Alfrebro : | BENZYL PROPIONATE
natural, Kosher |
| Fleurchem : | benzyl propionate
natural |
| International Flavors & Fragrances : | Benzyl Propionate
≥98% |
| Sigma-Aldrich-SAFC : | Benzyl propionate
≥98%, FCC, Kosher |
| Sigma-Aldrich-SAFC : | Benzyl propionate
≥98%, natural, FCC, Kosher |
| Symrise : | Benzyl propionate
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organoleptics :
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| odor type : | fruity |
| odor strength : | medium |
odor description : at 100.00 %. | sweet fruity apple banana jam balsam floral jasmin |
| substantivity : | 8 hour(s) at 100.00 % |
properties :
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| appearence : | colorless clear oily liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 1.02700 to 1.03500 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.546 to 8.612
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| specific gravity : | 1.02800 to 1.03600 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.564 to 8.631
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| refractive index : | 1.49500 to 1.49900 @ 20.00 °C.
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| boiling point : | 222.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 2.57 |
| 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) : |
None - None |
| Oral Toxicity(LD50) : |
Oral-Rat 3300.00 mg/kg (Moreno, 1973u)
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg FCTXAV 13,723,1975
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 41.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 99.00 (μg/capita/day) |
| flash point ( Deg. F. ) : | > 200.00 °F. TCC ( > 93.33 °C. )
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| recommendation for benzyl propionate usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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| recommendation for benzyl propionate usage levels up to : |
| | 150.0000 ppm in the flavor.
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safety links :
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| msds : | msds |
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| (EINECS) number : | 204-559-3 |
| RTECS : | UA2537603 for 122-63-4 |
| chemidplus : | 000122634 |
| EPA Substance Registry Services : | 122-63-4 |
| NLM Chemical Carcinogenesis Research Information System : | 122-63-4 |
| NLM Developmental and Reproductive Toxicity : | 122-63-4 |
| NLM Env. Mutagen Info. Center : | 122-63-4 |
| NLM GENetic TOXicology : | 122-63-4 |
| dtp/nci : | 46100 |
| EPI System : | view |
other :
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| | C of A |
references :
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| jecfa number : | 842 |
| fl. number : | 09.132 |
| pubchem : | 173253 |
| NIST Chemistry WebBook : | 3844827305 |