Pivalic acid solution - 1 M in dichloromethane , CAS No.75-98-9

CAS: 75-98-9 Cat. No.: P433638 Molecular Weight: 102.13 Beilstein Registry Number: 969480 EC Number: 200-922-5

GRADE & PURITY 1 M in dichloromethane

Synonyms

EC 200-922-5 | trimethyl acetic acid | EN300-21285 | PIV | Tox21_200425 | Neopentanoic acid | Pivalic acid; | P0461 | tert-Butyl carboxylic acid | Pivalinsaure | PivOH | PIVALIC ACID [MI] | A838577 | D78007 | MFCD00004194 | Kyselina pivalova | pivaloic ac

Storage

Room temperature

Overview

Application

Valuable building block offered as a solution in dichloromethane for more convenient handling.

Specifications

Synonyms

EC 200-922-5 | trimethyl acetic acid | EN300-21285 | PIV | Tox21_200425 | Neopentanoic acid | Pivalic acid; | P0461 | tert-Butyl carboxylic acid | Pivalinsaure | PivOH | PIVALIC ACID [MI] | A838577 | D78007 | MFCD00004194 | Kyselina pivalova | pivaloic ac

Specifications & Purity

1 M in dichloromethane

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: CC(C)(C)C(=O)O
• IUPAC Name: 2,2-dimethylpropanoic acid
• InChIKey: IUGYQRQAERSCNH-UHFFFAOYSA-N
• INCHI: 1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
• Isomeric SMILES: CC(C)(C)C(=O)O
• WGK Germany: 1
• RTECS: TO7700000
• UN Number: 3261
• Packing Group: I
• Molecular Weight: 102.13
• Beilstein: 969480
• Reaxy-Rn: 969480
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969480&ln=

Taxonomic Classification

Taxonomy Tree

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

• 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 acyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic 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: Branched fatty acids

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

Associated Targets(Human)

K562 (73714 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FFAR3 Tchem Free fatty acid receptor 3 (304 Activities)

Discover Target: FFAR3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Freezing Point(°C): 34 °C
• Flash Point(°F): 147.2 °F
• Flash Point(°C): 63℃
• Boil Point(°C): 163-164°C
• Melt Point(°C): 34°C
• Molecular Weight: 102.130 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 102.068 Da
• Monoisotopic Mass: 102.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 78.600
• 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

References

1. Haibin Niu, Jiaqi Li, Xin Song, Kaiyang Zhao, Li Liu, Chao Zhou, Guangfeng Wu.  (2023)  Multifunctional aqueous polyurethanes with high strength and self-healing efficiency based on silver nanowires for flexible strain sensors.  PHYSICAL CHEMISTRY CHEMICAL PHYSICS,  26  (3): (2175-2189).  [PMID:38164717] [10.1039/D3CP04319C]

2. Li-Ying Ren, Qian-Qian Li, Yu-Xia Zhang.  (2023)  The preparation of 3,4-ethylenedioxy thiophene (EDOT)-based conjugated microporous polymers by direct arylation polymerization and fluorescence-sensing nitro-aromatic compounds and iodine.  POLYMERS FOR ADVANCED TECHNOLOGIES,  34  (8): (2541-2553).  [PMID:] [10.1002/pat.6070]

3. Ying Zheng, Chaozhi Wang, Rongrong Zhang, Shuqi Dai, Hao Xie, Jingqin Cui, Xiaoliang Fang.  (2023)  Crosslinked polymer electrolyte constructed by metal-oxo clusters for solid lithium metal batteries.  Energy Storage Materials,      [PMID:] [10.1016/j.ensm.2023.02.037]

4. Fangli Yi, Qing Yang, Xinyu Li, Yiqi Yuan, Hongmei Cao, Kewei Liu, Hongjian Yan.  (2022)  A 1,3,5-triazine and benzodithiophene based donor-acceptor type semiconducting conjugated polymer for photocatalytic overall water splitting.  JOURNAL OF SOLID STATE CHEMISTRY,      [PMID:] [10.1016/j.jssc.2022.123769]

5. Lesly Dasilva Wandji Djouonkep, Alain Pierre Tchameni, Naomie Beolle Songwe Selabi, Arnaud Kamdem Tamo, Ingo Doench, Zhengzai Cheng, Mario Gauthier, Binqiang Xie, Anayancy Osorio-Madrazo.  (2022)  Bio-Based Degradable Poly(ether-ester)s from Melt-Polymerization of Aromatic Ester and Ether Diols.  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,  23  (16): (8967).  [PMID:36012244] [10.3390/ijms23168967]

6. Hui Zhang, Jianping Zhang, Yi Chen, Tianze Wu, Mingzhu Lu, Zhenxia Chen, Yu Jia, Yongtai Yang, Yun Ling, Yaming Zhou.  (2022)  Hollow carbon nanospheres embedded with stoichiometric γ-Fe2O3 and GdPO4: tuning the nanospheres for in vitro and in vivo size effect evaluation.  Nanoscale Advances,  4  (5): (1414-1421).  [PMID:36133683] [10.1039/D1NA00771H]

7. Hui Zhang, Tianze Wu, Yi Chen, Qianqian Zhang, Zhenxia Chen, Yun Ling, Yu Jia, Yongtai Yang, Xiaofeng Liu, Yaming Zhou.  (2021)  Hollow carbon nanospheres dotted with Gd–Fe nanoparticles for magnetic resonance and photoacoustic imaging.  Nanoscale,  13  (24): (10943-10952).  [PMID:34132292] [10.1039/D1NR02914B]

8. Simin Hou, Qiaohong Li, Qing-Rong Ding, Yao Kang, Jian Zhang, Lei Zhang.  (2020)  Heterometallic Ag2Ti10 and Ag4Ti8-oxo clusters with different silver doping models: synthesis, structure, and theoretical studies.  DALTON TRANSACTIONS,  49  (31): (11005-11009).  [PMID:32729609] [10.1039/D0DT02396E]

9. Wenlu Pan, Yuming Zhou, Man He, Xiaohai Bu, Binbin Ding, Tingyuan Huang, Shuang Huang, Shiwei Li.  (2017)  Synthesis, helicity, and low infrared emissivity of optically active poly(N-propargylamide)s bearing stigmasteryl moieties.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2017.04.056]

10. Pan Wenlu, He Man, Bu Xiaohai, Zhou Yuming, Ding Binbin, Huang Tingyuan, Huang Shuang, Li Shiwei.  (2017)  Microwave absorption and infrared emissivity of helical polyacetylene@multiwalled carbon nanotubes composites.  JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS,  28  (12): (8601-8610).  [PMID:] [10.1007/s10854-017-6584-4]

11. Yi Qian, Yuyu Zhang, Jinhao Huang, Qiongya Li, Fusheng Zhang, Guangyan Qing.  (2025)  Breathable, recyclable, and solvent-free conductive films: versatile processing for flexible biointerfaces.  Journal of Materials Chemistry C,      [PMID:] [10.1039/D4TC05213G]

12. Yaqi Li, Sijie Wan, Weichen Liang, Bei Cheng, Wang Wang, Yao Xiang, Jiaguo Yu, Shaowen Cao.  (2024)  D–A Conjugated Polymer/CdS S-Scheme Heterojunction with Enhanced Interfacial Charge Transfer for Efficient Photocatalytic Hydrogen Generation.  Small,      [PMID:38441363] [10.1002/smll.202312104]

13. Xiaojing Lv, Chunyan Liu, Mingfa Shao, Jin Li, Minao Xia, Jiankun Cui, Juncheng Dong, Mi Ouyang, Cheng Zhang.  (2024)  Full color control and patterned display device from cyan/magenta/yellow water-dispersed electrochromic polymer nanoparticles systems.  NANOTECHNOLOGY,  35  (36): (365201).  [PMID:38710176] [10.1088/1361-6528/ad47cd]

14. You-Song Hu, Ruo-Yu Fang, Yan-Hao Liu, Meng-Han Fu, Shu-Han Wang, Jia-Wang Yuan, Qi Yang, Qiu-Chen Peng, Zhao-Yang Wang, Xiu-Qin Li, Kai Li, Shuang-Quan Zang.  (2025)  Temperature-Inert Terbium Cluster Scintillator.  Aggregate,      [PMID:] [10.1002/agt2.70140]

15. Qianqian Zhang, Peiyuan Wang, Yun Ling, Xiaomin Li, Lixue Xia, Yongtai Yang, Xiaofeng Liu, Fan Zhang, Yaming Zhou.  (2017)  Single Molecular Wells–Dawson-Like Heterometallic Cluster for the In Situ Functionalization of Ordered Mesoporous Carbon: A T 1- and T 2-Weighted Dual-Mode Magnetic Resonance Imaging Agent and Drug Delivery System.  ADVANCED FUNCTIONAL MATERIALS,  27  (11): (1605313).  [PMID:] [10.1002/adfm.201605313]

16. Lu Tianhao, Zhou Yuanyuan, Liu Yan, Xin Binjie, Qin Ying, Kuang Guankun.  (2024)  Preparation and performance study of GLC/TMP double crosslinking modified waterborne polyurethane for wood coatings.  Journal of Coatings Technology and Research,      [PMID:] [10.1007/s11998-024-00984-7]

17. 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]

18. Ying-An Mai, Xi-Tai Cai, Libo Li, Zhipeng Qiu, Weifeng Liu, Xueqing Qiu, Rongxian Ou, Jingpeng Zhou, Fengshan Zhang, Fan Bu.  (2026)  Sustainable lignin-hydroxymethyl furfural-based waterborne polyurethane adhesive with high bonding strength, water and weather resistance.  GREEN CHEMISTRY,      [PMID:] [10.1039/D5GC06825H]