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| CAS No.: | 5239-82-7 |
|---|---|
| Name: | Cyclopropylacetic acid |
| Molecular Structure: | |
|
|
|
| Formula: | C5H8O2 |
| Molecular Weight: | 100.117 |
| Synonyms: | 2-Cyclopropaneaceticacid;2-Cyclopropylacetic acid; |
| EINECS: | -0 |
| Density: | 1.171 g/cm3 |
| Boiling Point: | 191.7 °C at 760 mmHg |
| Flash Point: | 93.8 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3265 8/PG 2 |
| PSA: | 37.30000 |
| LogP: | 0.87110 |
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| Conditions | Yield |
|---|---|
| at 160℃; | 98% |
| Conditions | Yield |
|---|---|
| With water; potassium hydroxide In ethanol at 90℃; for 18h; | 96% |
| With dihydrogen peroxide; sodium hydroxide In water at 0℃; for 48h; Reflux; Inert atmosphere; | 83% |
| With dihydrogen peroxide; sodium hydroxide In water Reflux; | 81% |
| Conditions | Yield |
|---|---|
| With diethylzinc In toluene Ambient temperature; | 75% |
| With hydrogenchloride |
| Conditions | Yield |
|---|---|
| With (1,2-dimethoxyethane)dichloronickel(II); 2.9-dimethyl-1,10-phenanthroline; silver fluoride In N,N-dimethyl acetamide at 20℃; under 5171.62 Torr; for 24h; | A 7% B 21% |
- 186581-53-3, 908094-01-9
diazomethane
- 4023-34-1
cyclopropanecarboxylic acid chloride
- 5239-82-7
cyclopropylacetic acid
| Conditions | Yield |
|---|---|
| With diethyl ether Erwaermen des Reaktionsprodukts mit Ag2O in Methanol und mit wss. KOH; |
- 56105-19-2
2-cyclopropylacetaldehyde
- 5239-82-7
cyclopropylacetic acid
| Conditions | Yield |
|---|---|
| With silver(l) oxide |
- 14902-14-8
-triphenyl-phosphoran
- 5239-82-7
cyclopropylacetic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide |
| Conditions | Yield |
|---|---|
| With 9-borabicyclo[3.3.1]nonane dimer; sodium methylate 1.) THF, r.t., 6 h; 2.) r.t., 12 h; Yield given. Multistep reaction; |
- 128871-21-6
cyclopropylketene
- 5239-82-7
cyclopropylacetic acid
| Conditions | Yield |
|---|---|
| With water Rate constant; |
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Specification
The Cyclopropylacetic acid, with the CAS registry number 5239-82-7, is also known as Cyclopropyl acetic acid. This chemical's molecular formula is C5H8O2 and molecular weight is 100.12. What's more, its IUPAC name is called 2-Cyclopropylacetic acid. It should be stored in a cool, dry and well-ventilated place.
Physical properties about Cyclopropylacetic acid are: (1)ACD/LogP: 0.578; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.23; (4)ACD/LogD (pH 7.4): -2.03; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 7.57; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 24.726 cm3; (15)Molar Volume: 85.437 cm3; (16)Surface Tension: 49.00 dyne/cm; (17)Density: 1.172 g/cm3; (18)Flash Point: 93.757 °C; (19)Enthalpy of Vaporization: 47.172 kJ/mol; (20)Boiling Point: 191.73 °C at 760 mmHg; (21)Vapour Pressure: 0.22 mmHg at 25 °C.
Preparation of Cyclopropylacetic acid: this chemical can be prepared by Cyclopropyl-acetonitrile. This reaction needs reagent 25percent aq. NaOH at temperature of 130-140 °C. The reaction time is 7 hours.
Uses of Cyclopropylacetic acid: it is used to produce other chemicals. For example, it can react with 1-Hydroxy-1H-pyridine-2-thione to get 1-{[(Cyclopropylmethyl)carbonyl]oxy}-2(1H)-pyridinethione. The reaction occurs with reagents p-(dimethylamino)pyridine, dicyclohexylcarbodiimide and solvent CH2Cl2 at ambient temperature. The yield is 45 %.
![Cyclopropylacetic acid can react with 1-Hydroxy-1H-pyridine-2-thione to get 1-{[(Cyclopropylmethyl)carbonyl]oxy}-2(1H)-pyridinethione.](/UserFilesUpload/Uses of Cyclopropylacetic acid.jpg)
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin or other mucous membranes and may destroy living tissue on contacting. What's more, it may cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes or skin, you should 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)CC1CC1
(2) InChI: InChI=1S/C5H8O2/c6-5(7)3-4-1-2-4/h4H,1-3H2,(H,6,7)
(3) InChIKey: KVVDRQDTODKIJD-UHFFFAOYSA-N