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Cyclopentanecarboxylic acid - 98%, high purity , CAS No.3400-45-1
Basic Description
Synonyms
AB00138 | InChI=1/C6H10O2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H,7,8 | cyclopentane; formic acid | CYCLOPENTANE,CARBOXYLIC ACID | W-106757 | EN300-19928 | A822036 | Cyclopentanecarboxylic acid, 99% | EINECS 222-269-5 | UNII-Z6691VH94A | AM83283 | Cyclopentancarb
Specifications & Purity
≥98%
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Carboxylic acids
Intermediate Tree Nodes
Not available
Direct Parent
Carboxylic acids
Alternative Parents
Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488182509
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488182509
IUPAC Name
cyclopentanecarboxylic acid
INCHI
InChI=1S/C6H10O2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H,7,8)
InChIKey
JBDSSBMEKXHSJF-UHFFFAOYSA-N
Smiles
C1CCC(C1)C(=O)O
Isomeric SMILES
C1CCC(C1)C(=O)O
WGK Germany
3
Molecular Weight
114.14
Beilstein
2039729
Reaxy-Rn
2039729
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2039729&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture sensitive
Freezing Point(°C)
-9 °C
Refractive Index
1.453-1.545
Flash Point(°F)
199.4 °F
Flash Point(°C)
93℃
Boil Point(°C)
216°C
Melt Point(°C)
4°C
Molecular Weight
114.140 g/mol
XLogP3
1.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
114.068 Da
Monoisotopic Mass
114.068 Da
Topological Polar Surface Area
37.300 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
92.700
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
1.
Yan Wang, Peng Dou, Xiaofeng You, Qing Liu, Zhaoyang Fei, Xian Chen, Zhuxiu Zhang, Jihai Tang, Mifen Cui, Xu Qiao.
(2023)
Naphthenic Acids Removal from Model Transformer Oil by Diethylamine Modified Resins.
MOLECULES,
28
(6):
(2444).
2.
Qiao Yuan, Yating Gu, Siquan Feng, Xiangen Song, Jiali Mu, Bin Li, Xingju Li, Yutong Cai, Miao Jiang, Li Yan, Jingwei Li, Zheng Jiang, Yingxu Wei, Yunjie Ding.
(2022)
Sulfur-Promoted Hydrocarboxylation of Olefins on Heterogeneous Single-Rh-Site Catalysts.
ACS Catalysis,
12
(7):
(4203–4215).
3.
Wei Ni, Gangtian Zhu, Fei Liu, Can Xie, Wei Li, Shukui Zhu.
(2022)
Rapid profiling of carboxylic acids in reservoir biodegraded crude oils using gas purge microsyringe extraction coupled to comprehensive two-dimensional gas chromatography-mass spectrometry.
FUEL,
316
(123312).
4.
Shuai Sun, Ruiyu Zhang, Wenxun Sun, Yifei Ding, Linghui Meng, Yongping Bai.
(2024)
Terminal modified polyesters with improved tensile properties based on plasticization and π-π stacking effects.
POLYMER,
298
(126934).
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