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| IUPAC name : | prop-2-enyl 2-(phenoxy)acetate |
| InChI : | InChI=1/C11H12O3/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10/h2-7H,1,8-9H2 |
| InChIKey : | VUFZVGQUAVDKMC-UHFFFAOYAL |
| SMILES : | C=CCOC(=O)COC1=CC=CC=C1 |
| cas number : | 7493-74-5 |
| (EINECS) number : | 231-335-2 |
| beilstein number : | 2102680 |
| fema number : | 2038 |
| coe number : | 228 |
| jecfa number : | 18 |
| fl. number : | 09.701 |
| molar refractivity : | 52.96 ± 0.3 cm3 |
| parachor : | 436.8 ± 4.0 cm3 |
| index of refraction : | 1.506 ± 0.02 |
| surface tension : | 36.2 ± 3.0 dyne/cm |
| density : | 1.079 ± 0.06 g/cm3 |
| polarizability : | 20.99 ± 0.5 10-24cm3 |
| XlogP : | 2.30 |
| XlogP3 : | 2.10 |
| molecular weight : | 192.2111800 (IUPAC) |
| formula : | C11 H12 O3 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.39.9050 |
| fda reg : | 172.515 |
Suppliers :
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| Apple : | Allyl phenoxyacetate
|
| Berje : | Allyl Phenoxy Acetate
(Acetate PA™Type ) |
| Inoue : | ALLYL PHENOXYACETATE
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| Moellhausen : | phenoxy allyl acetate
98% min. artifical kosher Flavor: sweet, pineapple, honey. |
| Penta : | allyl phenoxyacetate
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| SAFC Global® : | Allyl phenoxyacetate
≥99%, Kosher Odor: honey; pineapple; sweet |
| Symrise : | Allyl phenoxyacetate
Odor: green, sweet, herbal-fruity, reminiscent of camomile with nuances of honey, galbanum and pineapple Flavor: sweet, pineapple, honey. |
| Vigon : | Acetate PA Allyl Phenoxy Acetate
Odor: Green, sweet, herbal-fruity, reminiscent of camomile with nuances of honey, galbanum and pineapple |
organoleptics :
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| odor type : | fruity |
| odor strength : | medium |
odor description: at 100.00 %. | sweet fresh honey pineapple chamomile cocoa Luebke, William tgsc, (1991) |
| odor sample from : | Harrmann & Reimer Corporation |
| substantivity : | 304 Hour(s) |
properties :
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| appearence : | pale yellow clear liquid |
| assay : | 99.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.10000 to 1.10500 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.153 to 9.195
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| refractive index : | 1.51400 to 1.51700 @ 20.00 °C.
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| boiling point : | 100.00 to 102.00 °C. @ 1.00 mm Hg
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| boiling point : | 265.00 to 266.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w) : | 2.27 |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 23 - Do not breath vapour. S 24/25 - Avoid contact with skin and eyes. 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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| Oral Toxicity(LD50) : | |
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Oral-Rat 475.00 ul/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 703, 1975.
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| Dermal Toxicity(LD50) : | |
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Skin-Rabbit 820.00 ul/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 703, 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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| Category : | flavor and fragrance agents |
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| IFRA purity specification : | < 0.1% free allyl alcohol |
| recommendation for allyl phenoxyacetate fragrance usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for allyl phenoxyacetate flavor usage levels up to : |
| | 40.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
| IFRA : | IFRA - ( Found under : Allyl esters ) |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| SCCNFP : | opinion |
| WISER : | UN 2810 |
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| WGK Germany : | 1 |
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| | prop-2-enyl 2-(phenoxy)acetate |
| (EINECS) number : | 231-335-2 |
| RTECS : | AJ2240000 for cas# 7493-74-5 |
| chemidplus : | 007493745 |
| EPA Substance Registry Services : | 7493-74-5 |
| dtp/nci : | 408892 |
references :
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| | prop-2-enyl 2-(phenoxy)acetate |
| fl. number : | 09.701 |
| jecfa number : | 18 |
| NIST Chemistry WebBook : | 1702788968 |
| pubchem : | 166640 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| RIFM : | listed |
| FMA : | listed |
| FDA Everything Added to Food in the United States (EAFUS) | View |