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CAS No.: | 13668-61-6 |
---|---|
Name: | 2-CYCLOPENTENE-1-ACETIC ACID |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C7H10O2 |
Molecular Weight: | 126.155 |
Synonyms: | (2-Cyclopentenyl)aceticacid;(?à)-2-Cyclopentene-1-acetic acid;2-(Cyclopent-2-enyl)acetic acid;2-Cyclopenteneacetic acid;Cyclopent-2-en-1-ylaceticacid;Cyclopenten-3-ylacetic acid;NSC 60126; |
EINECS: | 237-146-1 |
Density: | 1.104g/cm3 |
Melting Point: | 19 °C(lit.) |
Boiling Point: | 238 °C at 760 mmHg |
Flash Point: | 143.1 °C |
Appearance: | colourless liquid with an unpleasant smell |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 37.30000 |
LogP: | 1.42730 |
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The 2-Cyclopentene-1-aceticacid, with CAS registry number 13668-61-6, belongs to the following product category: Miscellaneous. It has the systematic name of cyclopent-2-en-1-ylacetic acid. This chemical is a kind of colourless liquid with an unpleasant smell. And the chemical formula of this chemical is C7H10O2. What's more, its EINECS is 237-146-1.
Physical properties of 2-Cyclopentene-1-aceticacid: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.42; (4)ACD/LogD (pH 7.4): -1.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.99; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 33.55 cm3; (15)Molar Volume: 114.2 cm3; (16)Polarizability: 13.3×10-24cm3; (17)Surface Tension: 46 dyne/cm; (18)Density: 1.104 g/cm3; (19)Flash Point: 143.1 °C; (20)Enthalpy of Vaporization: 52.3 kJ/mol; (21)Boiling Point: 238 °C at 760 mmHg; (22)Vapour Pressure: 0.0148 mmHg at 25°C.
Uses of 2-Cyclopentene-1-aceticacid: it can be used to produce cyclopentylacetic acid. This reaction will need reagents ethanol, platinum.
When you are using this chemical, please be cautious about it as the following:
The 2-Cyclopentene-1-aceticacid irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact 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)CC1\C=C/CC1
(2)InChI: InChI=1/C7H10O2/c8-7(9)5-6-3-1-2-4-6/h1,3,6H,2,4-5H2,(H,8,9)
(3)InChIKey: NNRZTJAACCRFRV-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H10O2/c8-7(9)5-6-3-1-2-4-6/h1,3,6H,2,4-5H2,(H,8,9)
(5)Std. InChIKey: NNRZTJAACCRFRV-UHFFFAOYSA-N