Products Categories
CAS No.: | 3400-45-1 |
---|---|
Name: | Cyclopentanecarboxylic acid |
Article Data: | 136 |
Molecular Structure: | |
Formula: | C6H10O2 |
Molecular Weight: | 114.144 |
Synonyms: | Cyclopentanoicacid;NSC 59714; |
EINECS: | 222-269-5 |
Density: | 1.13 g/cm3 |
Melting Point: | 3-5 °C(lit.) |
Boiling Point: | 213.832 °C at 760 mmHg |
Flash Point: | 96.251 °C |
Solubility: | Soluble in water |
Appearance: | clear colorless to yellow liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39-36 |
Transport Information: | UN 3265 |
PSA: | 37.30000 |
LogP: | 1.26120 |
What can I do for you?
Get Best Price
1.Introduction of Cyclopentanecarboxylic acid
Cyclopentanecarboxylic acid is an organic compound with the formula C6H10O2, and its systematic name is the same with the product name. With the CAS registry number 3400-45-1, it is also named as Cyclopentanoicacid. It belongs to the product categories of C6; Carbonyl Compounds; Carboxylic Acids. Its EINECS number is 222-269-5. In addition, the molecular weight is 114.14. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a ventilated and dry place. Moreover, it should be protected from light. It is used in organic synthesis.
2.Physical properties of Cyclopentanecarboxylic acid
(1)ACD/LogP: 1.123; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.34; (4)ACD/LogD (pH 7.4): -1.45; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 16.08; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 29.166 cm3; (15)Molar Volume: 100.965 cm3; (16)Polarizability: 11.562×10-24cm3; (17)Surface Tension: 44.54 dyne/cm; (18)Density: 1.13 g/cm3; (19)Flash Point: 96.251 °C; (20)Enthalpy of Vaporization: 49.603 kJ/mol; (21)Boiling Point: 213.832 °C at 760 mmHg; (22)Vapour Pressure: 0.06 mmHg at 25°C.
3.Structure descriptors of Cyclopentanecarboxylic acid
(1)SMILES: O=C(O)C1CCCC1
(2)Std. InChI: InChI=1S/C6H10O2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H,7,8)
(3)Std. InChIKey: JBDSSBMEKXHSJF-UHFFFAOYSA-N
4.Preparation of Cyclopentanecarboxylic acid
Cyclopentanecarboxylic acid can be prepared by cyclohexanone by heating. This reaction will need reagents poly(bisanthracenyl) diselenide, aq. H2O2 and solvent 2-methyl-propan-2-ol with the reaction time of 5 hours. The yield is about 60%.
5.Uses of Cyclopentanecarboxylic acid
Cyclopentanecarboxylic acid can be used to produce cyclopentanecarbonyl chloride at the ambient temperature. It will need reagent SOCl2 with the reaction time of 2 hours. The yield is about 83.5%.
6.Safety information of Cyclopentanecarboxylic acid
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing, gloves and eye/face protection.