Isobutyric acid anhydride
Isobutyric acid anhydride structure
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Common Name | Isobutyric acid anhydride | ||
|---|---|---|---|---|
| CAS Number | 97-72-3 | Molecular Weight | 158.195 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 183.6±8.0 °C at 760 mmHg | |
| Molecular Formula | C8H14O3 | Melting Point | -53 °C | |
| MSDS | Chinese USA | Flash Point | 59.4±0.0 °C | |
| Symbol |
GHS05, GHS06 |
Signal Word | Danger | |
Summary: Isobutyric acid anhydride (Chinese name: 异丁酸酐，CAS number: 97-72-3，molecular formula: C8H14O3，molecular weight: 158.195) is a transparent liquid with a melting point of -53°C and a boiling point of 183.6±8.0°C. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | isobutyric acid anhydride |
|---|---|
| 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 | 183.6±8.0 °C at 760 mmHg |
| Melting Point | -53 °C |
| Molecular Formula | C8H14O3 |
| Molecular Weight | 158.195 |
| Flash Point | 59.4±0.0 °C |
| Exact Mass | 158.094299 |
| PSA | 43.37000 |
| LogP | 1.27 |
| Vapour density | 5.45 (vs air) |
| Vapour Pressure | 0.8±0.3 mmHg at 25°C |
| Index of Refraction | 1.418 |
| InChIKey | LSACYLWPPQLVSM-UHFFFAOYSA-N |
| SMILES | CC(C)C(=O)OC(=O)C(C)C |
| Water Solubility | decomposes |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS05, GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H301 + H311-H314 |
| Precautionary Statements | P280-P301 + P310-P305 + P351 + P338-P310 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | C:Corrosive; |
| Risk Phrases | R21/22;R34 |
| Safety Phrases | S26-S36/37/39-S45 |
| RIDADR | 2922 |
| WGK Germany | 3 |
| RTECS | NQ5550000 |
| Packaging Group | II |
| Hazard Class | 8 |
| HS Code | 2915900090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2915900090 |
|---|---|
| Summary | 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) 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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A catalytic one-step process for the chemo- and regioselective acylation of monosaccharides.
J. Am. Chem. Soc. 129(42) , 12890-5, (2007) An organocatalytic method for the chemo- and regioselective acylation of monosaccharides has been developed. Treatment of octyl beta-D-glucopyranoside with isobutyric anhydride in the presence of 10 m... |
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Theoretical prediction of selectivity in kinetic resolution of secondary alcohols catalyzed by chiral DMAP derivatives.
J. Am. Chem. Soc. 134(22) , 9390-9, (2012) The mechanism of esterification of the secondary alcohol 1-(1-naphthyl)ethanol 9 by isobutyric anhydride catalyzed by 4-pyrrolidinopyridine (PPY, 11) and a series of single enantiomer atropisomeric 4-... |
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Three-Component Supramolecular System with Multistimuli-Responsive Properties in Water.
Chem. Asian J. 10 , 1690-7, (2015) Hyperbranched polyethylenimine terminated with isobutyramide groups (HPEI-IBAm), 4-(phenylazo)benzoic acid (PABA), and α-cyclodextrin (α-CD) were assembled together at pH≈7 to form the three-component... |
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.
| 1Y1&VOVY1&1 |
| Isobutyric acid anhydride |
| MFCD00008913 |
| 2-Methylpropanoic anhydride |
| 2-methylpropanoyl 2-methylpropanoate |
| Propanoic acid, 2-methyl-, anhydride |
| EINECS 202-603-6 |
| Isobutyric anhydride |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of isobutyric acid anhydride? |
| A: The English name of isobutyric acid anhydride is isobutyric acid anhydride. |
| Q: What is the molecular formula of isobutyric acid anhydride? |
| A: Molecular formula of isobutyric acid anhydride is C8H14O3. |
| Q: What is the LogP of isobutyric acid anhydride? |
| A: LogP of isobutyric acid anhydride is 1.27. |
| Q: What is the molecular weight of isobutyric acid anhydride? |
| A: Molecular weight of isobutyric acid anhydride is 158.195. |
| Q: What is the CAS number of isobutyric acid anhydride? |
| A: CAS number of isobutyric acid anhydride is 97-72-3. |
| Q: What English synonyms does isobutyric acid anhydride have? |
| A: English synonyms of isobutyric acid anhydride: 1Y1&VOVY1&1, Isobutyric acid anhydride, MFCD00008913, 2-Methylpropanoic anhydride, 2-methylpropanoyl 2-methylpropanoate, Propanoic acid, 2-methyl-, anhydride, EINECS 202-603-6, Isobutyric anhydride. |
| Q: What is the InChIKey of isobutyric acid anhydride? |
| A: InChIKey of isobutyric acid anhydride is LSACYLWPPQLVSM-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of isobutyric acid anhydride? |
| A: Polar surface area (PSA) of isobutyric acid anhydride is 43.37000. |
| Q: What is the safety information for isobutyric acid anhydride? |
| A: Safety information for isobutyric acid anhydride: S26-S36/37/39-S45. |
| Q: How is the water solubility of isobutyric acid anhydride? |
| A: Water solubility of isobutyric acid anhydride: decomposes. |
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. |