Isobutyric acid
- Product NameIsobutyric acid
- CAS79-31-2
- CBNumberCB3367722
- MFC4H8O2
- MW88.11
- EINECS201-195-7
- MDL NumberMFCD00002658
- MOL File79-31-2.mol
Chemical Properties
| Melting point: | -47 °C (lit.) |
| Boiling point: | 153-154 °C (lit.) |
| Density | 0.95 g/mL at 25 °C (lit.) |
| vapor density | 3.04 (vs air) |
| vapor pressure | 1.5 mm Hg ( 20 °C) |
| refractive index | n |
| FEMA | 2222 | ISOBUTYRIC ACID |
| Flash point: | 132 °F |
| storage temp. | Store below +30°C. |
| solubility | 618g/l |
| form | Liquid |
| pka | 4.84(at 20℃) |
| color | Clear colorless |
| PH | 3.96(1 mM solution);3.44(10 mM solution);2.93(100 mM solution); |
| Odor | at 1.00 % in propylene glycol. acidic sour cheese dairy buttery rancid |
| Odor Type | acidic |
| biological source | synthetic |
| explosive limit | 1.6-7.3%(V) |
| Odor Threshold | 0.0015ppm |
| Water Solubility | 210 g/L (20 ºC) |
| Specific Heat Capacity | Cp(liquid): 1.96 J/(g·K), at 25℃ |
| JECFA Number | 253 |
| Merck | 14,5155 |
| BRN | 635770 |
| Henry's Law Constant | 4.6×101 mol/(m3Pa) at 25℃, Kim and Kim (2016) |
| Dielectric constant | 2.6(Ambient) |
| Major Application | flavors and fragrances |
| Cosmetics Ingredients Functions | BUFFERING |
| InChI | 1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6) |
| InChIKey | KQNPFQTWMSNSAP-UHFFFAOYSA-N |
| SMILES | CC(C)C(O)=O |
| LogP | 1.1 at 25℃ |
| CAS DataBase Reference | 79-31-2(CAS DataBase Reference) |
| NIST Chemistry Reference | Propanoic acid, 2-methyl-(79-31-2) |
| EPA Substance Registry System | Isobutyric acid (79-31-2) |
| CAS Number Unlabeled | 79-31-2 |
Safety
| Symbol(GHS) |
   GHS02,GHS05,GHS06 |
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| Signal word | Danger | |||||||||
| Hazard statements | H301+H311-H314-H226-H290 | |||||||||
| Precautionary statements | P501-P270-P240-P210-P233-P234-P243-P241-P242-P264-P280-P370+P378-P390-P361+P364-P303+P361+P353-P301+P330+P331-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P403+P235-P406-P405 | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 21/22 | |||||||||
| Safety Statements | 23-36/37/39-24/25 | |||||||||
| RIDADR | UN 2529 | |||||||||
| WGK Germany | 1 | |||||||||
| RTECS | NQ4375000 | |||||||||
| F | 13 | |||||||||
| Autoignition Temperature | 824 °F | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 3 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29156000 | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications |
Acute Tox. 3 Dermal Acute Tox. 4 Oral Eye Dam. 1 Flam. Liq. 3 Skin Corr. 1B |
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| Hazardous Substances Data | 79-31-2(Hazardous Substances Data) | |||||||||
| Toxicity | LD50 orally in Rabbit: 266 mg/kg LD50 dermal Rabbit 475 mg/kg | |||||||||
| REACH Registrations | Active | |||||||||
| Limited Quantities | 5.0 L (1.3 gallons) (liquid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) | |||||||||
| NFPA 704: |
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