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| IUPAC name : | oxolan-2-ylmethyl propanoate |
| InChI : | InChI=1/C8H14O3/c1-2-8(9)11-6-7-4-3-5-10-7/h7H,2-6H2,1H3 |
| InChIKey : | FMKCDSXOYLTWBR-UHFFFAOYAC |
| SMILES : | CCC(=O)OCC1CCCO1 |
| cas number : | 637-65-0 |
| (EINECS) number : | 211-297-3 |
| fema number : | 3058 |
| coe number : | 11843 |
| jecfa number : | 1445 |
| fl. number : | 13.049 |
| molar refractivity : | 40.41 ± 0.3 cm3 |
| parachor : | 373.1 ± 4.0 cm3 |
| index of refraction : | 1.438 ± 0.02 |
| surface tension : | 34.6 ± 3.0 dyne/cm |
| density : | 1.028 ± 0.06 g/cm3 |
| polarizability : | 16.02 ± 0.5 10-24cm3 |
| XlogP : | 0.80 |
| molecular weight : | 158.1949600 |
| formula : | C8 H14 O3 |
| BioActivity Analysis : | 452169 |
| NMR Predictor : | Predict |
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| export tariff code : | 2932.19.0000 |
| fda reg : | 172.515 |
Suppliers :
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| Bedoukian Research : | TETRAHYDROFURFURYL PROPIONATE
≥96.0%, Kosher Odor: nutty, banana |
| Frutarom : | TETRAHYDROFURFURYL PROPIONATE
≥99.00%, NI, Kosher Odor: Fruity, Musty, Nutty, Sweet |
| Inoue : | TETRAHYDRO FURFURYL PROPIONATE
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| Penta : | tetrahydrofurfuryl propionate
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| Sigma-Aldrich-SAFC : | (+/-)-Tetrahydrofurfuryl propionate
≥96.0% |
organoleptics :
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| odor type : | nutty |
| odor strength : | medium |
odor description :¹ at 100.00 %. | oily paint fruity violet leaf tropical |
| odor sample from : | Sigma-Aldrich Inc. |
| substantivity : | 4 hour(s) at 100.00 % |
properties :
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| appearence : | colorless clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.02800 to 1.03500 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.554 to 8.612
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| refractive index : | 1.43500 to 1.44500 @ 20.00 °C.
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| boiling point : | 205.00 to 207.00 °C. @ 760.00 mm Hg
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| boiling point : | 64.00 to 68.00 °C. @ 3.00 mm Hg
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| acid value : | 4.00 max. KOH/g
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| vapor density : | 5.4 ( Air = 1 ) |
| flash point : | 198.00 °F. TCC ( 92.22 °C. )
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| logP (o/w) : | 1.39 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 22 - Harmful if swallowed. 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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Not determined
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| Dermal Toxicity(LD50) : |
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Not determined
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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) : | 0.051 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 5.00 (μg/capita/day) |
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| recommendation for tetrahydrofurfuryl propionate usage levels up to : |
| | not for fragrance use.
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| recommendation for tetrahydrofurfuryl propionate usage levels up to : |
| | 500.0000 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 |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 1993 |
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| WGK Germany : | 3 |
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| | oxolan-2-ylmethyl propanoate
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| (EINECS) number : | 211-297-3 |
| chemidplus : | 000637650 |
| EPA Substance Registry Services : | 637-65-0 |
| dtp/nci : | 203419 |
references :
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| | oxolan-2-ylmethyl propanoate
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| fl. number : | 13.049 |
| jecfa number : | 1445 |
| NIST Chemistry WebBook : | 3946772525 |
| pubchem : | 197443 |
other :
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| reference : | Luebke, William tgsc, (2007)¹ |