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1-Cyclopentenecarboxylic acid

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Name

1-Cyclopentenecarboxylic acid

EINECS N/A
CAS No. 1560-11-8 Density 1.215 g/cm3
PSA 37.30000 LogP 1.18130
Solubility N/A Melting Point 121-124 °C(lit.)
Formula C6H8O2 Boiling Point 210 °C at 760 mmHg
Molecular Weight 112.128 Flash Point 101.3 °C
Transport Information N/A Appearance White to pale yellow powder
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1560-11-8 (1-Cyclopentenecarboxylic acid) Hazard Symbols IrritantXi
Synonyms

1-Cyclopentenecarboxylicacid;1-Cyclopentenylcarboxylic acid;Isoaleprolic acid;NSC 44968;

Article Data 4

1-Cyclopentenecarboxylic acid Specification

The IUPAC name of this chemical is cyclopentene-1-carboxylic acid. With the CAS registry number 1560-11-8, it is also named as Isoaleprolic acid. The product's categories are Blocks; Carboxes; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Cycloalkanes; C6; Carbonyl Compounds; Carboxylic Acids. It is white to pale yellow powder which is soluble in water. Additioanlly, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.74; (4)ACD/LogD (pH 7.4): -1.02; (5)ACD/BCF (pH 5.5): 1.54; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31.69; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.536; (13)Molar Refractivity: 28.76 cm3; (14)Molar Volume: 92.2 cm3; (15)Polarizability: 11.4×10-24 cm3; (16)Surface Tension: 51.1 dyne/cm; (17)Enthalpy of Vaporization: 49.18 kJ/mol; (18)Vapour Pressure: 0.0783 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 112.05243; (21)MonoIsotopic Mass: 112.05243; (22)Topological Polar Surface Area: 37.3; (23)Heavy Atom Count: 8; (24)Complexity: 136.

Preparation of 1-Cyclopentene-1-carboxylicacid: It can be obtained by cyclopent-1-enecarbaldehyde. This reaction needs reagents water and silver oxide.

Uses of 1-Cyclopentene-1-carboxylicacid: It can react with methanol to get cyclopent-1-enecarboxylic acid methyl ester. This reaction needs reagent conc. H2SO4 by heating. The reaction time is 4.0 hours. The yield is 75%.

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, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection. 

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)/C1=C/CCC1
2. InChI:InChI=1/C6H8O2/c7-6(8)5-3-1-2-4-5/h3H,1-2,4H2,(H,7,8)
3. InChIKey:PYRZPBDTPRQYKG-UHFFFAOYAS

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intraperitoneal 250mg/kg (250mg/kg)   Biochemical Pharmacology. Vol. 5, Pg. 108, 1960.

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