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2-Methyl-2-phenylpropionic acid

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Name

2-Methyl-2-phenylpropionic acid

EINECS 212-556-3
CAS No. 826-55-1 Density 1.089 g/cm3
PSA 37.30000 LogP 2.04880
Solubility Insoluble in water Melting Point 80-82 °C
Formula C10H12O2 Boiling Point 270.5 °C at 760 mmHg
Molecular Weight 164.204 Flash Point 167.7 °C
Transport Information N/A Appearance White crystalline
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 826-55-1 (2-Methyl-2-phenylpropionic acid) Hazard Symbols Xi
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);

Article Data 96

2-Methyl-2-phenylpropionic acid Synthetic route

67174-28-1

diphenyl N-<2-methyl-2-phenyl-1-(1-pyrrolidinyl)propylidene>phosphoramidate

826-55-1

2-methyl-2-phenylpropionic acid

Conditions
ConditionsYield
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
ConditionsYield
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;
3575-19-7

2-bromo-2-phenylpropane

124-38-9

carbon dioxide

826-55-1

2-methyl-2-phenylpropionic acid

Conditions
ConditionsYield
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.
1195-98-8

2-methyl-2-phenylpropionitrile

826-55-1

2-methyl-2-phenylpropionic acid

Conditions
ConditionsYield
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
ConditionsYield
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
3805-10-5

2,2-(dimethyl)-2-phenylacetaldehyde

826-55-1

2-methyl-2-phenylpropionic acid

Conditions
ConditionsYield
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
ConditionsYield
With sodium hydride In N,N-dimethyl-formamide at 10 - 20℃; for 16h; Alkylation;A 28%
B 52%
201230-82-2

carbon monoxide

98-83-9

isopropenylbenzene

826-55-1

2-methyl-2-phenylpropionic acid

Conditions
ConditionsYield
With water; bis-triphenylphosphine-palladium(II) chloride In butanone at 115℃; under 40504.1 Torr; for 5.5h;50%
124-38-9

carbon dioxide

N,N,N-trimethyl-2-phenylpropan-2-aminium trifluoromethanesulfonate

826-55-1

2-methyl-2-phenylpropionic acid

Conditions
ConditionsYield
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%
103-82-2

phenylacetic acid

826-55-1

2-methyl-2-phenylpropionic acid

Conditions
ConditionsYield
With ammonia; potassium amide anschliessend Behandeln mit CH3I;

2-Methyl-2-phenylpropionic acid Chemical Properties

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

2-Methyl-2-phenylpropionic acid 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

2-Methyl-2-phenylpropionic acid Specification

 2-Methyl-2-phenylpropionic acid , its CAS NO. is 826-55-1, the synonym is 2-Phenylisobutyric acid .

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