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| IUPAC name : | 2-methylpropanoic acid |
| InChI : | InChI=1/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6) |
| InChIKey : | KQNPFQTWMSNSAP-UHFFFAOYAB |
| SMILES : | CC(C)C(=O)O |
| cas number : | 79-31-2 |
| (EINECS) number : | 201-195-7 |
| eu annex : | 607-063-00-9 |
| beilstein number : | 0635770 |
| fema number : | 2222 |
| coe number : | 6 |
| jecfa number : | 253 |
| fl. number : | 08.006 |
| molar refractivity : | 22.10 ± 0.3 cm3 |
| parachor : | 210.4 ± 4.0 cm3 |
| index of refraction : | 1.408 ± 0.02 |
| surface tension : | 30.4 ± 3.0 dyne/cm |
| density : | 0.983 ± 0.06 g/cm3 |
| polarizability : | 8.76 ± 0.5 10-24cm3 |
| XlogP : | 0.50 |
| XlogP3-AA : | 0.80 |
| molecular weight : | 88.1051200 (IUPAC) |
| formula : | C4 H8 O2 |
| BioActivity Analysis : | 48414828 |
| pherobase floral: | view |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.60.0000 |
| fda reg : | 172.515 |
Suppliers :
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| Advanced Biotech : | isobutyric acid
98% min. natural Odor: Rancid, Cheese |
| Cargill : | ISOBUTYRIC ACID (EU NAT)
Odor: Rancid |
| Cargill : | ISOBUTYRIC ACID
natural, Kosher Odor: Rancid |
| Elan : | isobutyric acid
(natural), Kosher |
| Fleurchem : | isobutyric acid
natural |
| Frutarom : | ISOBUTYRIC ACID
≥99.00%, NI, Kosher Odor: Acidic, Cheese, Rancid, Sour Suggested Uses: Bakery, Cheese, Dairy Products, Vegetables |
| Hofmen : | isobutyric acid
99%, (naturals) |
| Inoue : | isoBUTYRIC ACID
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| Mane : | isoobutyric acid
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| Mooreganics : | isobutyric Acid
Natural (Organic Compliant) Odor: CHEESY, FRUITY |
| Penta : | isobutyric acid
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| Penta : | isobutyric acid
natural |
| SAFC Global® : | Isobutyric acid
≥99%, FCC, Kosher Odor: butter; strawberry |
| SAFC Global® : | Isobutyric acid
≥99%, natural, FCC, Kosher Odor: butter; strawberry |
| Vigon : | Isobutyric Acid
Odor: STRONG, PENETRATING ODOR OF RANCID BUTTER |
| Vigon : | Isobutyric Acid
Natural Odor: STRONG, PENETRATING ODOR OF RANCID BUTTER |
organoleptics :
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| odor type : | acidic |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description: at 1.00 % in dipropylene glycol. | acidic sour cheese butter |
| natural odor sample from : | Harrmann & Reimer Corporation |
odor description: at 10.00 ppm. | Acidic pungent, dairy buttery and cheesey with fruity undernotes Mosciano, Gerard P&F 24, No. 2, 49, (1999) |
taste description: at 15.00 ppm. | Acidic, sour dairy, creamy, cheese, cultured dairy nuance Mosciano, Gerard P&F 24, No. 2, 49, (1999) |
| substantivity : | 8 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 99.00 to 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.94400 to 0.94800 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.855 to 7.888
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| refractive index : | 1.39200 to 1.39500 @ 20.00 °C.
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| melting point : | -47.00 to -46.00 °C. @ 760.00 mm Hg
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| boiling point : | 153.00 to 154.00 °C. @ 760.00 mm Hg
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| boiling point : | 85.00 to 86.00 °C. @ 50.00 mm Hg
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| vapor pressure : | 1.81000 mm/Hg @ 25.00 °C. |
| vapor density : | 3.0 ( Air = 1 ) |
| flash point : | 132.00 °F. TCC ( 55.56 °C. )
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| logP (o/w) : | 0.94 |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 21/22 - Harmful in contact with skin and if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. 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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Oral-Rat 280.00 ul/kg American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
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| Dermal Toxicity(LD50) : | |
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Skin-Rabbit 500.00 ul/kg American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
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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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| recommendation for isobutyric acid fragrance usage levels up to : |
| | not for fragrance use.
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| recommendation for isobutyric acid flavor usage levels up to : |
| | 470.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
| IUCLID : | view |
| NIOSH International Chemical Safety Cards : | search |
| NLM Hazardous Substances Data Bank : | search |
| Cancer Citations : | 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 2529 |
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| WGK Germany : | 1 |
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| | 2-methylpropanoic acid |
| (EINECS) number : | 201-195-7 |
| RTECS : | 79-31-2 |
| chemidplus : | 000079312 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 79-31-2 |
references :
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| | 2-methylpropanoic acid |
| fl. number : | 08.006 |
| jecfa number : | 253 |
| NIST Chemistry WebBook : | 1130356798 |
| pubchem : | 149562 |
| Flavornet : | 79-31-2 |
Cosmetics :
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| Cosmetic uses : |
buffering agents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |