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3-Cyclopentylpropionic acid

  • Name 3-Cyclopentylpropionic acid
  • EINECS205-433-0
  • CAS No. 140-77-2
  • Density1.034 g/cm3
  • PSA37.30000
  • LogP2.04140
  • Solubilityinsoluble
  • Melting Point131 °C
  • FormulaC8H14O2
  • Boiling Point247.2 °C at 760 mmHg
  • Molecular Weight142.198
  • Flash Point122 °C
  • Transport InformationUN 1993 3/PG 3
  • AppearanceClear colourless to yellow liquid
  • Safety16-26-36-24/25
  • Risk Codes10-36/37/38
  • Molecular Structure
    Molecular Structure of 140-77-2 (3-Cyclopentylpropionic acid)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data20

3-Cyclopentylpropionic acid Synthetic route

2033-24-1

cycl-isopropylidene malonate

872-53-7

cyclopentanealdehyde

140-77-2

3-cyclopentylpropionic acid

Conditions
ConditionsYield
With formic acid; triethylamine at 100℃; Knoevenagel condensation;89%
120-92-3

cyclopentanone

79-31-2

isobutyric Acid

140-77-2

3-cyclopentylpropionic acid

Conditions
ConditionsYield
With potassium hydroxide79.2%
With potassium hydroxide; sodium hydroxide17.8%
767-05-5

3-cyclopentyl-1-propanol

140-77-2

3-cyclopentylpropionic acid

Conditions
ConditionsYield
With potassium hydroxide; zinc(II) oxide In 1,3,5-trimethyl-benzene at 164℃; for 36h; Inert atmosphere; Schlenk technique;74%
96-41-3

Cyclopentanol

140-77-2

3-cyclopentylpropionic acid

Conditions
ConditionsYield
72%

3-cyclopentylpropanol methyl ether

A

6053-89-0

3-cyclopentylpropanal

B

140-77-2

3-cyclopentylpropionic acid

Conditions
ConditionsYield
With HOF* CH3CN; sodium fluoride In chloroform; water; acetonitrile 0 deg C -> room temperature;A 15%
B 70%
108-30-5

succinic acid anhydride

137-43-9

Cyclopentyl bromide

140-77-2

3-cyclopentylpropionic acid

Conditions
ConditionsYield
With [2,2]bipyridinyl; bis(1,5-cyclooctadiene)nickel (0); zinc In N,N-dimethyl acetamide at 80℃; for 12h;57%
88-09-5

2-Ethylbutanoic acid

120-92-3

cyclopentanone

140-77-2

3-cyclopentylpropionic acid

Conditions
ConditionsYield
With potassium hydroxide; sodium hydroxide13.8%
1123-04-2

3-cyclopentylpropionitrile

140-77-2

3-cyclopentylpropionic acid

Conditions
ConditionsYield
With sodium hydroxide
With sodium hydroxide In ethanol
90953-67-6

(+/-)-3c-cyclopent-2-enyl-acrylic acid

140-77-2

3-cyclopentylpropionic acid

Conditions
ConditionsYield
With palladium Hydrogenation;
5019-82-9

bicyclo[3.2.1]octan-2-one

140-77-2

3-cyclopentylpropionic acid

Conditions
ConditionsYield
In tetrahydrofuran; water Irradiation;

3-Cyclopentylpropionic acid Specification

This chemical is called Cyclopentanepropanoic acid, and its CAS registry number is 140-77-2. With the molecular formula of C8H14O2, its product category is Organic Acids. Additionally, this chemical should be sealed in the cool and dry place.

Other characteristics of the Cyclopentanepropanoic acid can be summarised as followings: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.51; (4)ACD/LogD (pH 7.4): -0.29; (5)ACD/BCF (pH 5.5): 5.38; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 70.29; (8)ACD/KOC (pH 7.4): 1.14; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 38.58 cm3; (15)Molar Volume: 137.4 cm3; (16)Polarizability: 15.29×10-24cm3; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.034 g/cm3; (19)Flash Point: 122 °C; (20)Enthalpy of Vaporization: 53.34 kJ/mol; (21)Boiling Point: 247.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00837 mmHg at 25°C.

Uses of this chemical: The Cyclopentanepropanoic acid could react with methylmagnesium bromide, and obtain the 4-cyclopentyl-butan-2-one. This reaction needs the solvent of diethyl ether. The yield is 42 %.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. For it's flammable, keep it away from the sources of ignition. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)CCC1CCCC1
2.InChI: InChI=1/C8H14O2/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2,(H,9,10)
3.InChIKey: ZRPLANDPDWYOMZ-UHFFFAOYAK

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