2,5-Hexanediol - ≥98%(GC) , CAS No.2935-44-6

CAS: 2935-44-6 Cat. No.: H157400 Formula: C₆H₁₄O₂ Peso molecolare: 118.18 Numero EC: 220-910-3

GRADE & PURITY ≥98%(GC)

Synonyms

CHEBI:84894 | SCHEMBL37610 | Diisopropanol | NSC3699 | 2,5-Dihydroxyhexane | EN300-51760 | FT-0604676 | WLN: QY1&2YQ1 | 4-01-00-02562 (Beilstein Handbook Reference) | MFCD00004557 | 2,5-hexandiol | FT-0610496 | (2R,5R)-2,5-hexandiole | hexane-2,5-diol | S

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

CHEBI:84894 | SCHEMBL37610 | Diisopropanol | NSC3699 | 2,5-Dihydroxyhexane | EN300-51760 | FT-0604676 | WLN: QY1&2YQ1 | 4-01-00-02562 (Beilstein Handbook Reference) | MFCD00004557 | 2,5-hexandiol | FT-0610496 | (2R,5R)-2,5-hexandiole | hexane-2,5-diol | S

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 488182430
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182430
• Sorrisi canonici: CC(CCC(C)O)O
• IUPAC Name: hexane-2,5-diol
• InChIKey: OHMBHFSEKCCCBW-UHFFFAOYSA-N
• INCHI: 1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3
• Isomeri SMILES: CC(CCC(C)O)O
• WGK Germania: 3
• RTECS: MO2275000
• Peso molecolare: 118.18
• Reaxy-Rn: 1719248
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719248&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Secondary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
• External Descriptors: glycol

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

Proprietà chimiche e fisiche

• Solubilità: Fully miscible in water.
• Sensibilità: Moisture sensitive
• Indice di rifrazione: 1.447
• Punto di infiammabilità (°F): 213.8 °F
• Punto di infiammabilità (°C): 110°C
• Punto di ebollizione (°C): 221°C
• Peso molecolare: 118.170 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 118.099 Da
• Monoisotopic Mass: 118.099 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 46.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Riferimenti

1. Jiang Dong, He Yilin, Zhou Xiangui, Cao Zhiran, Pang Lei, Zhong Sheng, Jiang Liwen, Li Ruixi.  (2022)  Arabidopsis HOPS subunit VPS41 carries out plant-specific roles in vacuolar transport and vegetative growth.  PLANT PHYSIOLOGY,  189  (3): (1416-1434).  [PMID:35417008] [10.1093/plphys/kiac167]

2. Mao Shiqi, Wu Ruonan, Luo Weibang, Qin Jinshan, Chen Antony K.  (2025)  Spuriously transcribed RNAs from CRISPR-sgRNA expression plasmids scaffold biomolecular condensate formation and hamper accurate genomic imaging.  NUCLEIC ACIDS RESEARCH,  53  (6):   [PMID:40119729] [10.1093/nar/gkaf192]

3. Cheng Zhang, Hongyi Qi, Tianxiao Chang, Yahe Wu, Jiacheng Cao, Mingsen Chen, Yanbin Huang, Wantai Yang.  (2025)  Synthesis of High-Molecular-Weight Maleic Anhydride-Based Copolymer Esters by Intermolecular Double-End Esterification with Diols.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.4c03038]

4. Bai Qiufang, Li Zhe, Chen Jing, Liu Man, Shao Xiaodan, Chen Xiaochi, Piao Fengyuan, Fang Linlin.  (2026)  Bone mesenchymal stem cells attenuate axonopathy in spinal cord of rats exposed to 2,5-hexanedione via NGF-dependent and -independent pathways.  MOLECULAR AND CELLULAR BIOCHEMISTRY,      [PMID:41511719] [10.1007/s11010-025-05466-x]