Isobutyric acid
Isobutyric acid structure
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Common Name | Isobutyric acid | ||
|---|---|---|---|---|
| CAS Number | 79-31-2 | Molecular Weight | 88.105 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 155.2±8.0 °C at 760 mmHg | |
| Molecular Formula | C4H8O2 | Melting Point | -47 °C | |
| MSDS | Chinese USA | Flash Point | 55.6±0.0 °C | |
| Symbol |
GHS02, GHS05, GHS06 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | isobutyric acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 155.2±8.0 °C at 760 mmHg |
| Melting Point | -47 °C |
| Molecular Formula | C4H8O2 |
| Molecular Weight | 88.105 |
| Flash Point | 55.6±0.0 °C |
| Exact Mass | 88.052429 |
| PSA | 37.30000 |
| LogP | 0.59 |
| Vapour density | 3.04 (vs air) |
| Vapour Pressure | 1.6±0.6 mmHg at 25°C |
| Index of Refraction | 1.408 |
| InChIKey | KQNPFQTWMSNSAP-UHFFFAOYSA-N |
| SMILES | CC(C)C(=O)O |
| Water Solubility | 210 g/L (20 ºC) |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS02, GHS05, GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H226-H302-H311-H314 |
| Precautionary Statements | P210-P260-P280-P303 + P361 + P353-P305 + P351 + P338-P370 + P378 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xn:Harmful |
| Risk Phrases | R21/22 |
| Safety Phrases | S23-S36/37/39 |
| RIDADR | UN 2529 3/PG 3 |
| WGK Germany | 1 |
| RTECS | NQ4375000 |
| Packaging Group | III |
| Hazard Class | 3 |
| HS Code | 2915600000 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
CAS#:74-98-6
CAS#:201230-82-2
CAS#:78-84-2
CAS#:79-41-4
CAS#:78-83-1
CAS#:1759-53-1
CAS#:869563-40-6
CAS#:75-29-6
CAS#:75-28-5
CAS#:124-38-9![14-Isopropyldibenz[a,j]acridine structure](https://image.chemsrc.com/caspic/484/10457-59-7.png)
CAS#:10457-59-7![2-isopropyl-1H-benzo[d]imidazole structure](https://image.chemsrc.com/caspic/196/5851-43-4.png)
CAS#:5851-43-4
CAS#:5471-77-2
CAS#:595-46-0
CAS#:595-37-9
CAS#:813-72-9
CAS#:14250-88-5
CAS#:478296-72-9
CAS#:492-37-5
CAS#:19136-93-7This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2915600000 |
|---|---|
| Summary | 2915600000 butanoic acids and pentanoic acids and their salts and esters VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Combined effects of nutrients and temperature on the production of fermentative aromas by Saccharomyces cerevisiae during wine fermentation.
Appl. Microbiol. Biotechnol. 99(5) , 2291-304, (2015) Volatile compounds produced by yeast during fermentation greatly influence the organoleptic qualities of wine. We developed a model to predict the combined effects of initial nitrogen and phytosterol ... |
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Olfactometry Profiles and Quantitation of Volatile Sulfur Compounds of Swiss Tilsit Cheeses.
J. Agric. Food Chem. 63 , 7511-21, (2015) To establish the odor profiles of three differently fabricated commercial Swiss Tilsit cheeses, analyses were conducted using headspace solid-phase microextraction gas chromatography-mass spectrometry... |
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GC/MS method for determining carbon isotope enrichment and concentration of underivatized short-chain fatty acids by direct aqueous solution injection of biogas digester samples.
Talanta 143 , 56-63, (2015) In anaerobic digestion of organic matter, several metabolic pathways are involved during the simultaneous production and consumption of short-chain fatty acids (SCFA) in general and acetate in particu... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-Methylpropionic acid |
| α-methylpropionic acid |
| MFCD00002658 |
| isobutanoic acid |
| 2-methyl-propionic acid |
| a-Methylpropionic acid |
| Isopropyl formic acid |
| 4-02-00-00843 (Beilstein Handbook Reference) |
| Isobutyric acid |
| α-methylpropanoic acid |
| 2-Methylpropanoic acid |
| isopropylformic acid |
| propane-2-carboxylic acid |
| a-Methylpropanoic acid |
| 2-methyl-propanoic acid |
| iso-Butyric Acid |
| EINECS 201-195-7 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of isobutyric acid? |
| A: InChIKey of isobutyric acid is KQNPFQTWMSNSAP-UHFFFAOYSA-N. |
| Q: What is the molecular formula of isobutyric acid? |
| A: Molecular formula of isobutyric acid is C4H8O2. |
| Q: What is the molecular weight of isobutyric acid? |
| A: Molecular weight of isobutyric acid is 88.105. |
| Q: What is the safety information for isobutyric acid? |
| A: Safety information for isobutyric acid: S23-S36/37/39. |
| Q: How is the water solubility of isobutyric acid? |
| A: Water solubility of isobutyric acid: 210 g/L (20 ºC). |
| Q: What is the SMILES notation of isobutyric acid? |
| A: SMILES notation of isobutyric acid is CC(C)C(=O)O. |
| Q: What are the upstream materials of isobutyric acid? |
| A: Related upstream materials(CAS) of isobutyric acid: 74-98-6;201230-82-2;78-84-2;79-41-4;78-83-1;1759-53-1;869563-40-6;75-29-6;75-28-5;124-38-9. |
| Q: What is the boiling point of isobutyric acid? |
| A: Boiling point of isobutyric acid is 155.2±8.0 °C at 760 mmHg. |
| Q: What English synonyms does isobutyric acid have? |
| A: English synonyms of isobutyric acid: 2-Methylpropionic acid, α-methylpropionic acid, MFCD00002658, isobutanoic acid, 2-methyl-propionic acid, a-Methylpropionic acid, Isopropyl formic acid, 4-02-00-00843 (Beilstein Handbook Reference), Isobutyric acid, α-methylpropanoic acid, 2-Methylpropanoic acid, isopropylformic acid, propane-2-carboxylic acid, a-Methylpropanoic acid, 2-methyl-propanoic acid, iso-Butyric Acid, EINECS 201-195-7. |
| Q: What is the polar surface area (PSA) of isobutyric acid? |
| A: Polar surface area (PSA) of isobutyric acid is 37.30000. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |