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| CAS No.: | 826-55-1 |
|---|---|
| Name: | 2-Methyl-2-phenylpropionic acid |
| Article Data: | 96 |
| Molecular Structure: | |
|
|
|
| Formula: | C10H12O2 |
| Molecular Weight: | 164.204 |
| Synonyms: | 2,2-Dimethyl-2-phenylacetic acid;2-Phenyl-2-methylpropionic acid;2-Phenylisobutyric acid;NSC 28952;NSC 29095;TH 4161;a,a-Dimethylbenzeneacetic acid;a,a-Dimethylphenylacetic acid;Hydratropicacid, a-methyl- (6CI,7CI,8CI); |
| EINECS: | 212-556-3 |
| Density: | 1.089 g/cm3 |
| Melting Point: | 80-82 °C |
| Boiling Point: | 270.5 °C at 760 mmHg |
| Flash Point: | 167.7 °C |
| Solubility: | Insoluble in water |
| Appearance: | White crystalline |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 37.30000 |
| LogP: | 2.04880 |
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- 67174-28-1
diphenyl N-<2-methyl-2-phenyl-1-(1-pyrrolidinyl)propylidene>phosphoramidate
- 826-55-1
2-methyl-2-phenylpropionic acid
| Conditions | Yield |
|---|---|
| With potassium hydroxide In ethylene glycol Heating; | 100% |
- 57625-74-8
methyl 2-methyl-2-phenylpropionate
- 826-55-1
2-methyl-2-phenylpropionic acid
| Conditions | Yield |
|---|---|
| With water; sodium hydroxide In 1,4-dioxane for 24h; | 98% |
| With sodium hydroxide In methanol; water for 4h; Ambient temperature; Yield given; | |
| With sodium hydroxide; water In methanol at 80℃; for 12h; Hydrolysis; |
| Conditions | Yield |
|---|---|
| With Ag nano wire core encapsulated by a N-doped carbon shell at 700 °C In acetonitrile at 25℃; under 750.075 Torr; Electrochemical reaction; | 91% |
| With nitrogen-doped carbon nanofibers embedded with platinum nanoparticles onto flexible carbon cloth In acetonitrile at 25℃; under 760.051 Torr; Electrochemical reaction; | 92 %Chromat. |
| Conditions | Yield |
|---|---|
| With water; potassium hydroxide In ethylene glycol at 100℃; for 48h; Inert atmosphere; | 73% |
- 124-38-9
carbon dioxide
- 4148-93-0
2-phenyl-2-propyl phenyl sulfide
A
- 826-55-1
2-methyl-2-phenylpropionic acid
B
- 2973-86-6
lithium thiophenoxide
| Conditions | Yield |
|---|---|
| Stage #1: 2-phenyl-2-propyl phenyl sulfide With lithium In diethyl ether at 3 - 8℃; for 2h; Stage #2: carbon dioxide In diethyl ether | A 73% B n/a |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; silver nitrate for 2h; cooling; | 70% |
| With silver(l) oxide |
- 101-97-3
Ethyl 2-phenylethanoate
- 74-88-4
methyl iodide
A
- 826-55-1
2-methyl-2-phenylpropionic acid
B
- 2901-13-5
ethyl 2-methyl-2-phenylpropionate
| Conditions | Yield |
|---|---|
| With sodium hydride In N,N-dimethyl-formamide at 10 - 20℃; for 16h; Alkylation; | A 28% B 52% |
| Conditions | Yield |
|---|---|
| With water; bis-triphenylphosphine-palladium(II) chloride In butanone at 115℃; under 40504.1 Torr; for 5.5h; | 50% |
| Conditions | Yield |
|---|---|
| With (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; potassium carbonate; caesium carbonate In N,N-dimethyl-formamide at 25 - 30℃; for 36h; Schlenk technique; Glovebox; Sealed tube; Irradiation; | 43% |
| Conditions | Yield |
|---|---|
| With ammonia; potassium amide anschliessend Behandeln mit CH3I; |
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Chemistry
Product Name: 2-Methyl-2-phenylpropionic acid (CAS NO.826-55-1)
Molecular Formula: C10H12O2
Molecular Weight: 164.2g/mol
Mol File: 826-55-1.mol
EINECS: 212-556-3
Melting Point: 80-82°C
Boiling point: 270.5 °C at 760 mmHg
Flash Point: 167.7 °C
Density: 1.089 g/cm3
Surface Tension: 39.1 dyne/cm
Enthalpy of Vaporization: 53.73 kJ/mol
Vapour Pressure: 0.00336 mmHg at 25°C
XLogP3-AA: 1.6
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of 2-Methyl-2-phenylpropionic acid (CAS NO.826-55-1):
IUPAC Name: 2-methyl-2-phenylpropanoic acid
Canonical SMILES: CC(C)(C1=CC=CC=C1)C(=O)O
InChI: InChI=1S/C10H12O2/c1-10(2,9(11)12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,12)
InChIKey: YYEROYLAYAVZNW-UHFFFAOYSA-N
Product Categories: Acids and Derivatives
Safety Profile
Safety Information of 2-Methyl-2-phenylpropionic acid (CAS NO.826-55-1):
Risk Statements: 36/37/38
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements: 26-36/37/39
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
Specification
2-Methyl-2-phenylpropionic acid , its CAS NO. is 826-55-1, the synonym is 2-Phenylisobutyric acid .