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| CAS No.: | 1123-00-8 |
|---|---|
| Name: | CYCLOPENTYLACETIC ACID |
| Article Data: | 29 |
| Molecular Structure: | |
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| Formula: | C7H12O2 |
| Molecular Weight: | 128.171 |
| Synonyms: | 2-Cyclopentaneaceticacid;2-Cyclopentylacetic acid;Cyclopentylacetic acid;NSC 60134; |
| EINECS: | 214-368-7 |
| Density: | 1.06 g/cm3 |
| Melting Point: | 12-14 °C |
| Boiling Point: | 230.2 °C at 760 mmHg |
| Flash Point: | 114 °C |
| Appearance: | clear colourless liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 37.30000 |
| LogP: | 1.65130 |
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Specification
The IUPAC name of Cyclopentaneacetic acid is 2-cyclopentylacetic acid. With the CAS registry number 1123-00-8, it is also named as 2-Cyclopentaneaceticacid. The product's categories are Pharmaceutical Intermediates; Miscellaneous. Besides, it is clear colourless liquid, which should be stored in tightly sealed containers in a cool, dry place. And you should ensure that the workplaces have good ventilation or exhaust devices. In addition, its molecular formula is C7H12O2 and molecular weight is 128.17.
The other characteristics of this product can be summarized as: (1)EINECS: 214-368-7; (2)ACD/LogP: 1.74; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.01; (5)ACD/LogD (pH 7.4): -0.78; (6)ACD/BCF (pH 5.5): 2.28; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 38.78; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 2; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 2; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 33.94 cm3; (15)Molar Volume: 120.9 cm3; (16)Surface Tension: 41 dyne/cm; (17)Density: 1.06 g/cm3; (18)Flash Point: 114 °C; (19)Melting Point: 12-14 °C; (20)Enthalpy of Vaporization: 51.42 kJ/mol; (21)Boiling Point: 230.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0237 mmHg at 25 °C.
Preparation of Cyclopentaneacetic acid: first, you can use Cyclopropyl bromide to react with Diethyl malonate. And then you would obtain this chemical after hydrolysis and decarboxylation. The reaction equation is as follows:
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Uses of Cyclopentaneacetic acid: this chemical is an intermediate in organic synthesis. It is used to produce Cyclopentyl acetaldehyde. Additionally, it can react with indol-6-ylamine to get 2-cyclopentyl-N-(1H-indol-6-yl)-acetamide.
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This reaction needs 1-(3-(dimethylamino)propyl)-3-ethylcarbodiimide hydrochloride, 4-(dimethylamino)pyridine and CH2Cl2 for 24 hours. The yield is 95 %.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1CCC(C1)CC(=O)O
(2)InChI: InChI=1S/C7H12O2/c8-7(9)5-6-3-1-2-4-6/h6H,1-5H2,(H,8,9)
(3)InChIKey: YVHAIVPPUIZFBA-UHFFFAOYSA-N