Cyelohexanecarboxylic acid - ≥99% , CAS No.98-89-5

CAS: 98-89-5 Cat. No.: C110756 분자식: C₇H₁₂O₂ 분자량: 128.17 Beilstein Registry Number: 970529 EC 번호: 202-711-3

GRADE & PURITY ≥99%

Synonyms

Cyclohexanecarboxylic acid, 98% | AI3-01854 | AKOS000119768 | F2191-0111 | CHEBI:36096 | CYCLOHEXANECARBOXYLIC ACID [MI] | L-N-METHYLEPHEDRINEHYDROCHLORIDE | 3,4-dichloro-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]benzamide | DTXSID8059180 | NSC452 |

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

Cyclohexanecarboxylic acid, 98% | AI3-01854 | AKOS000119768 | F2191-0111 | CHEBI:36096 | CYCLOHEXANECARBOXYLIC ACID [MI] | L-N-METHYLEPHEDRINEHYDROCHLORIDE | 3,4-dichloro-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]benzamide | DTXSID8059180 | NSC452 |

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

Cyclohexanecarboxylic acid undergoes microbial degradation by a strain of Antherobacter to form para-hydroxybenzoic acid. Cyclohexanecarboxylic acid undergoes aromatization and converts to Hippuric acid in rat liver extracts in vitro. Cyclohexanecarboxyli

보관 조건

Room temperature

배송

Normal

순수함

≥99%

이름과 식별자

• Pubchem Sid: 504751336
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751336
• 정식 스마일: C1CCC(CC1)C(=O)O
• IUPAC Name: cyclohexanecarboxylic acid
• InChIKey: NZNMSOFKMUBTKW-UHFFFAOYSA-N
• INCHI: 1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)
• 이성체 SMILES: C1CCC(CC1)C(=O)O
• WGK 독일: 2
• RTECS: GU8370000
• 분자량: 128.17
• Beilstein: 970529
• Reaxy-Rn: 970529
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=970529&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: 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
• 설명: 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: monocarboxylic acid

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.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 용해성: H2O: soluble 0.201g in 100g at 15 °C;organic solvents: soluble
• 동결점(°C): 27 °C
• 굴절률: 1.453
• 발화점(°C): ＞112℃
• 끓는점(°C): 232.5°C
• 녹는점(°C): 30-32°C
• 분자량: 128.169 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 128.084 Da
• Monoisotopic Mass: 128.084 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 103.000
• 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

참고 문헌

1. Shuai Zhu, Zhuoyu Li, Meiqi Yu, Qinghong Wang, Chunmao Chen, Jun Ma.  (2023)  Efficient removal of naphthenic acids from real petroleum wastewater by natural pyrite activated persulfate system.  JOURNAL OF ENVIRONMENTAL MANAGEMENT,      [PMID:37827079] [10.1016/j.jenvman.2023.119239]

2. Hongwei Ren, Yize Liu, Ruoyao Zhang, Yi Zheng, Tengda Zhao, Jing Han, Chunmao Chen, Erhong Duan.  (2023)  Near-infrared carbon quantum dots from PEG-based deep eutectic solvents for high-accuracy quantitative analysis of naphthenic acids in wastewater.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2023.109988]

3. Miao Yang, Jingyi Ma, Sihui Yu, Kunpeng Xie, Weidong Zhang, Endong Zhang, Qingzhi Wang, Xi Xie, Zheng Gong.  (2023)  Glycerolipid remodeling is crucial for acclimation to naphthenic acid exposure in Chlorella pyrenoidosa and Chlamydomonas reinhardtii.  Algal Research-Biomass Biofuels and Bioproducts,      [PMID:] [10.1016/j.algal.2023.103098]

4. Can Xie, Wei Ni, Fei Liu, Gangtian Zhu, Yuguang Hou.  (2023)  Analysis, distribution and evolution of individual carboxylic acids in crude oil during biodegradation.  ORGANIC GEOCHEMISTRY,      [PMID:] [10.1016/j.orggeochem.2023.104573]

5. Zhipeng Huang, Yang Yang, Junju Mu, Genheng Li, Jianyu Han, Puning Ren, Jian Zhang, Nengchao Luo, Ke-Li Han, Feng Wang.  (2023)  Controlling the reactions of free radicals with metal-radical interaction.  CHINESE JOURNAL OF CATALYSIS,      [PMID:] [10.1016/S1872-2067(22)64181-0]

6. 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,      [PMID:] [10.1016/j.fuel.2022.123312]

7. Gang-Tian Zhu, Fei Liu, Sheng He, Xiao-Mei He, Shu-Kui Zhu, Yu-Qi Feng.  (2018)  Magnetic extractant with an Fe3O4@SiO2 core and aqueous ammonia coating for microextraction of petroleum acids.  RSC Advances,  8  (35): (19486-19493).  [PMID:35541011] [10.1039/C8RA02262C]

8. Di Hu, Hong Xu, Yongjian Zeng, Lu Lin, Zhiwei Jiang, Kai Yan.  (2023)  Selective hydrogenation of benzoic acid over bimetallic NiCo embedded in N-doped carbon.  AICHE JOURNAL,  70  (1): (e18276).  [PMID:] [10.1002/aic.18276]

9. Fan Zhang, Meng Jiao, Lihong Wang, Jun Ma, Tao Zhang.  (2025)  Surface Coordination and Radical Binding Induce Efficient Decomposition of Chlorinated Organophosphate Flame Retardants during Catalytic Ozonation.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:40560399] [10.1021/acs.est.5c01814]

10. Hao Qin, Mintao Pang, Fanjing Wei, Zhiguo Yuan, Weizhou Jiao, Guisheng Qi, Youzhi Liu.  (2025)  Combining Nonionic DES Design with High-Gravity Technology to Advance Sustainable Gas Absorption: CO2 Capture as a Case Study.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.5c10986]

11. Jingwen Wang, Fanjing Wei, Qingqing Zhang, Shaofu Li, Lijie Guan, Hao Qin, Zhiwen Qi.  (2026)  Experimental Thermophysical Properties and Temperature Dependence of Four Non-Ionic Deep Eutectic Solvents.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,      [PMID:] [10.1021/acs.jced.5c00677]

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 98-89-5, the molecular formula is C7H12O2, and the molecular weight is 128.17 g/mol. InChIKey NZNMSOFKMUBTKW-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.