A4979112
Isobutyric acid , StandardforGC,≥99.5%(GC) , 79-31-2
Synonym(s):
2-Methylpropionic acid;Isobutanoic acid;Isobutyric acid
CAS NO.：79-31-2
Empirical Formula: C4H8O2
Molecular Weight: 88.11
MDL number: MFCD00002658
EINECS: 201-195-7
Update time: 2022-07-08
PRODUCT 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 |
| pka | 4.84(at 20℃) |
| form | Liquid |
| color | Clear colorless |
| Odor | at 1.00 % in propylene glycol. acidic sour cheese dairy buttery rancid |
| PH | 3.96(1 mM solution);3.44(10 mM solution);2.93(100 mM solution); |
| Odor Threshold | 0.0015ppm |
| Odor Type | acidic |
| biological source | synthetic |
| explosive limit | 1.6-7.3%(V) |
| Water Solubility | 210 g/L (20 ºC) |
| Merck | 14,5155 |
| JECFA Number | 253 |
| 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 |
Description and Uses
Isobutyric acid is used to prepare esters for flavors and perfumes. It is also used as a disinfecting agent, preservative and tanning agent. It finds applications in textile, varnish and the leather industry. Further, it is used as a lactation stimulant in dairy cattle. In addition to this, it is used in the preparation of tetramethylsuccinic acid and diisopropyl ketone.
Safety
| Symbol(GHS) |    GHS02,GHS05,GHS06 |
| 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 |
| 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) |
