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| IUPAC name : | 3-methylpentanoic acid |
| InChI : | InChI=1/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
| InChIKey : | IGIDLTISMCAULB-UHFFFAOYAI |
| SMILES : | CCC(C)CC(=O)O |
| cas number : | 105-43-1 |
| (EINECS) number : | 203-297-7 |
| beilstein number : | 1720696 |
| fema number : | 3437 |
| coe number : | 10149 |
| jecfa number : | 262 |
| fl. number : | 08.056 |
| molar refractivity : | 31.36 ± 0.3 cm3 |
| parachor : | 290.0 ± 4.0 cm3 |
| index of refraction : | 1.425 ± 0.02 |
| surface tension : | 31.3 ± 3.0 dyne/cm |
| density : | 0.947 ± 0.06 g/cm3 |
| polarizability : | 12.43 ± 0.5 10-24cm3 |
| XlogP : | 1.80 |
| molecular weight : | 116.1582800 (IUPAC) |
| formula : | C6 H12 O2 |
| pherobase floral: | view |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.60.0000 |
| fda reg : | unspecified |
Suppliers :
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| Apple : | 3-Methyl pentanoic acid
|
| Bedoukian Research : | 3-METHYL PENTANOIC ACID
≥98.0%, Kosher Odor: An herbaceous, cheese-like odor that is sweet upon dilution Flavor: sour cheesy Used in many cheese flavor blends. |
| Citrus and Allied Essences : | 3-Methyl Pentanoic Acid
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| Fontarome : | 3-METHYL VALERIC ACID (PENTANOIC ACID)
Odor: Sour pungent odor; in dilution, sour-herbaceous, green |
| Penta : | 3-methyl pentanoic acid
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| SAFC Global® : | (±)-3-Methylvaleric acid
≥98%, Kosher, FG Odor: berry; creamy; herbaceous |
organoleptics :
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| odor type : | animal |
| odor strength : | medium , recommend smelling in a 1.00 % solution or less |
odor description: at 1.00 % in dipropylene glycol. | animal sharp acidic cheesy green fruity sweaty |
odor description:
| Animalic, sharp acidic cheesey, green with a fruity sweaty nuance Mosciano, Gerard P&F 16, No. 2, 49, (1991) |
taste description: at 30.00 ppm. | Sour, cheesey, fresh with fruity notes Mosciano, Gerard P&F 16, No. 2, 49, (1991) |
| substantivity : | 380 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.87400 to 0.97000 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.273 to 8.071
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| refractive index : | 1.36500 to 1.45600 @ 20.00 °C.
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| boiling point : | 196.00 to 198.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 1.70000 mm/Hg @ 20.00 °C. |
| vapor density : | >1 ( Air = 1 ) |
| flash point : | 185.00 °F. TCC ( 85.00 °C. )
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| logP (o/w) : | 1.66 |
safety :
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| most important hazard(s) : | C - Corrosive. |
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R 21 - Harmful in contact with skin. R 34 - Causes burns. 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 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. S 45 - In case of accident or if you feel unwell seek medical advice immediately.
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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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| Category : | flavoring agents |
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| recommendation for 3-methyl valeric acid fragrance usage levels up to : |
| | not for fragrance use.
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| recommendation for 3-methyl valeric acid flavor usage levels up to : |
| | 30.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
| Toxicology Citations : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 3265 |
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| WGK Germany : | 3 |
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| | 3-methylpentanoic acid |
| (EINECS) number : | 203-297-7 |
| chemidplus : | 000105431 |
| EPA Substance Registry Services : | 105-43-1 |
references :
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| | 3-methylpentanoic acid |
| fl. number : | 08.056 |
| jecfa number : | 262 |
| NIST Chemistry WebBook : | 3045183671 |
| pubchem : | 150846 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |