Sodium tert-pentoxide - 2.5M (30 wt%) in THF , CAS No.14593-46-5

CAS: 14593-46-5 Cat. No.: S140673 Molecular Weight: 110.13 Beilstein Registry Number: 3983987 EC Number: 238-639-4 PubChem CID: 2733478

GRADE & PURITY 2.5M (30 wt%) in THF

Synonyms

AMY33539 | Sodium 2-methyl-2-butoxide, 25% in Toluene | EINECS 238-639-4 | Sodium 2-methylbutan-2-olate | Q27260933 | Sodium tert-pentoxide, 3M in THF | 51Z39PY5Z8 | Sodium-t-amylate | S0950 | 2-Butanol, 2-methyl-, sodium salt | Sodium tert-Pentylate | CG

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Specifications

Synonyms

AMY33539 | Sodium 2-methyl-2-butoxide, 25% in Toluene | EINECS 238-639-4 | Sodium 2-methylbutan-2-olate | Q27260933 | Sodium tert-pentoxide, 3M in THF | 51Z39PY5Z8 | Sodium-t-amylate | S0950 | 2-Butanol, 2-methyl-, sodium salt | Sodium tert-Pentylate | CG

Specifications & Purity

2.5M (30 wt%) in THF

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: CCC(C)(C)[O-].[Na+]
• IUPAC Name: sodium;2-methylbutan-2-olate
• InChIKey: CGRKYEALWSRNJS-UHFFFAOYSA-N
• INCHI: 1S/C5H11O.Na/c1-4-5(2,3)6;/h4H2,1-3H3;/q-1;+1
• Isomeric SMILES: CCC(C)(C)[O-].[Na+]
• WGK Germany: 1
• PubChem CID: 2733478
• UN Number: 3206
• Packing Group: II
• Molecular Weight: 110.13
• Beilstein: 3983987

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • Class Organic metal salts
      • Subclass Organic alkali metal salts

• Kingdom: Organic compounds
• Superclass: Organic salts
• Class: Organic metal salts
• Subclass: Organic alkali metal salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic alkali metal salts
• Alternative Parents: Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Alkoxides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic zwitterion - Alkoxide - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic alkali metal salts. These are organic salts of an alkali metal. The alkali metal atom is usually in its ionic form.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: air & Moisture sensitive
• Refractive Index: 1.415
• Flash Point(°F): -17 °C
• Flash Point(°C): -17°C
• Molecular Weight: 110.130 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 110.071 Da
• Monoisotopic Mass: 110.071 Da
• Topological Polar Surface Area: 23.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 43.300
• 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: 2

XLogP3

References

1. Tao Huang, Rongrong Zheng, Haiyang Chang, Di Ma, Haijun Niu.  (2022)  Green fruit organic primary battery: Positive citric acid, negative sodium tert-pentoxide.  JOURNAL OF ELECTROANALYTICAL CHEMISTRY,      [PMID:] [10.1016/j.jelechem.2022.116582]

2. Xu Chu, Shengnan Wang, Yan Cao.  (2019)  A new fluorescence probe comprising nitrogen-doped graphene quantum dots for the selective and quantitative determination of cerium(IV).  NEW JOURNAL OF CHEMISTRY,  44  (3): (797-806).  [PMID:] [10.1039/C9NJ04518J]

3. Xiuna Tian, Hongjian Dou, Lingyuan Wu.  (2019)  Photoluminescence and thermometry properties of upconversion phosphor NaBiF4: Yb3+/Tm3+.  OPTICAL MATERIALS,      [PMID:] [10.1016/j.optmat.2019.109544]

4. ShaoZhen Wang, Jianguo Zhang, Hongqi Chen, Lun Wang.  (2015)  An optical FRET inhibition sensor for serum ferritin based on Mn2+-doped NaYF4:Yb,Tm NIR luminescence up-conversion nanoparticles.  JOURNAL OF LUMINESCENCE,      [PMID:] [10.1016/j.jlumin.2015.07.048]

5. Jianhao Zheng, Pengye Du, Ran An, Yuan Liang, Yi Wei, Shuyu Liu, Pengpeng Lei, Hongjie Zhang.  (2025)  Engineering tri-channel orthogonal luminescence in a single nanoparticle for information encryption.  Inorganic Chemistry Frontiers,      [PMID:] [10.1039/D4QI03199G]

6. Jialong Xu, Yubiao Yue, Zhishan Chen, Hongqiang Zhu, Shaoan Zhang, Yiqing Chen, Huiwang Lian, Yuzhen Wang, Jia Xu, Linhai Li, Yang Li.  (2026)  Deep Learning-Powered Perovskite Paper Sensors for Ultrasensitive on-Site Mercury Detection.  Advanced Optical Materials,      [PMID:] [10.1002/adom.202503205]