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| IUPAC name : | propyl acetate |
| InChI : | InChI=1/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3 |
| InChIKey : | YKYONYBAUNKHLG-UHFFFAOYAC |
| SMILES : | CCCOC(=O)C |
| cas number : | 109-60-4 |
| (EINECS) number : | 203-686-1 |
| eu annex : | 607-024-00-6 |
| beilstein number : | 1740764 |
| fema number : | 2925 |
| coe number : | 192 |
| jecfa number : | 126 |
| fl. number : | 09.002 |
| molar refractivity : | 26.98 ± 0.3 cm3 |
| parachor : | 255.8 ± 4.0 cm3 |
| index of refraction : | 1.387 ± 0.02 |
| surface tension : | 24.8 ± 3.0 dyne/cm |
| density : | 0.891 ± 0.06 g/cm3 |
| polarizability : | 10.69 ± 0.5 10-24cm3 |
| XlogP : | 1.00 |
| molecular weight : | 102.1317000 |
| formula : | C5 H10 O2 |
| BioActivity Analysis : | 48415093 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.39.4510 |
| fda reg : | 172.515 177.1200 |
Suppliers :
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| Advanced Biotech : | propyl acetate
98% min. natural Odor: Pear, Raspberry |
| Berje : | N-Propyl Acetate
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| Cargill - Alfrebro : | n-PROPYL ACETATE (EU NAT)
natural, Kosher |
| Cargill - Alfrebro : | n-PROPYL ACETATE
natural, Kosher |
| Frutarom : | NATURAL PROPYL ACETATE
≥95.00%, natural, Kosher Odor: Fruity, Fusel, Pear |
| Frutarom : | PROPYL ACETATE
≥96.00%, NI, Kosher Odor: Fruity, Fusel, Pear |
| Grau Aromatics : | PROPYL-ACETATE
FCC, NI, Kosher |
| Mane : | propyl acetate
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| Penta : | propyl acetate
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| Penta : | propyl acetate
natural |
| Sigma-Aldrich-SAFC : | Propyl acetate
≥98%, Kosher Odor: celery |
| Sigma-Aldrich-SAFC : | Propyl acetate
≥97%, natural, FCC, Kosher, FG Odor: celery |
organoleptics :
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| odor type : | solvent |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | solvent celery fruity fusel raspberry pear |
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 : | 0.88000 to 0.88600 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.322 to 7.372
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| refractive index : | 1.38200 to 1.38700 @ 20.00 °C.
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| melting point : | -95.00 °C. @ 760.00 mm Hg
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| boiling point : | 101.00 to 102.00 °C. @ 760.00 mm Hg
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| boiling point : | 32.00 to 33.00 °C. @ 50.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| vapor pressure : | 35.90000 mm/Hg @ 25.00 °C. |
| vapor density : | 3.5 ( Air = 1 ) |
| flash point : | 55.00 °F. TCC ( 12.78 °C. )
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| logP (o/w) : | 1.24 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 11 - Highly flammable. R 36 - Irritating to eyes. R 67 - Vapours may cause frowsiness and dizziness. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 29 - Do not empty into drains. S 33 - Take precautionary measures against static discharge. S 36 - Wear suitable protective clothing.
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| Oral Toxicity(LD50) : |
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Oral-Rat 9370.00 mg/kg Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
Oral-Rabbit 6640.00 mg/kg Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.
Oral-Mouse 8300.00 mg/kg Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
Intraperitoneal-Mouse 1420.00 mg/kg Shell Chemical Company. Unpublished Report. Vol. -, Pg. 8, 1961.
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >20.00 ml/kg Union Carbide Data Sheet. Vol. 1/25/1965
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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) : | 180.00 (μg/capita/day) |
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| recommendation for propyl acetate usage levels up to : |
| | not for fragrance use.
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| recommendation for propyl acetate 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 |
| NIOSH International Chemical Safety Cards : | search |
| NIOSH Pocket Guide : | search |
| NLM Hazardous Substances Data Bank : | search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 1276 |
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| WGK Germany : | 1 |
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| | propyl acetate
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| (EINECS) number : | 203-686-1 |
| RTECS : | 109-60-4 |
| chemidplus : | 000109604 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 109-60-4 |
| dtp/nci : | 72025 |
references :
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| | propyl acetate
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| fl. number : | 09.002 |
| jecfa number : | 126 |
| NIST Chemistry WebBook : | 413543883 |
| pubchem : | 151111 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
solvents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| Household Products : | Search |