1,6-Hexanediol

• CAS: 629-11-8
• Catalog Number: ACM-MO-629118
• Category: Main Products; Diol Monomers
• Molecular Weight: 118.18 g/mol
• Molecular Formula: C6H14O2
• Description: 1,6-Hexanediol is a saturated straight-chain diol, colorless liquid at room temperature, soluble in water. Industrially, 1,6-hexanediol can be synthesized by hydrogenation of adipic acid or its esters. It is usually prepared in the laboratory by the reduction of adipic acid with lithium aluminum hydride.
• Synonyms: 1,6-Dihydroxyhexane;; Hexamethylene Glycol;; 1,6-Hexylene Glycol
• IUPAC Name: hexane-1,6-diol
• Canonical SMILES: OCCCCCCO
• InChI: 1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2
• InChI Key: XXMIOPMDWAUFGU-UHFFFAOYSA-N
• Boiling Point: 250 °C
• Melting Point: 42 °C
• Flash Point: 215 °F
• Density: 0.96
• Appearance: White to Almost White Powder to Lump
• Application: 1,6-Hexanediol can be used for a variety of s such as:; a structure-directing agent for the synthesis of ZSM-5 zeolite; a solvent for titanium tetraisopropoxide to form titanium oxide (TiO2) nanocrystals; a phase change material in combination with lauric acid for thermal energy storage s
• Storage: 2-8°C
• Assay: 99%
• Autoignition Temperature: 608 °F
• Condition To Avoid: Hygroscopic
• EC Number: 211-074-0
• Exact Mass: 118.09900
• Features And Benefits: 1. High quality products; 2. Fast delivery; 3. Additional products can be ordered, please contact us for details
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• MDL Number: MFCD00002985
• NACRES: NA.23
• Packaging: Packaging; 50 g in poly bottle
• Physical State: Solid
• PubChem ID: 24854405
• Quality Level: 200
• Safety Description: S23-S24/25-S36/37
• Stability: Stable under normal temperatures and pressures.
• Vapor Pressure: 0.53 mmHg ( 20 °C)

Case Study

1,6-Hexanediol Inhibits Phase Separation in Baculoviral Replication Factory Assembly

Finoshin AD, et al. Journal of Virological Methods, 2025, 335, 115147.

1,6-Hexanediol has been identified as an inhibitor of phase separation in the assembly of baculoviral replication factories, highlighting its potential role in viral replication studies. In a study using Spodoptera frugiperda Sf9 cells infected with Autographa californica multiple nucleopolyhedrovirus (AcMNPV), 1,6-Hexanediol was found to disrupt the formation of the virogenic stroma, a membrane-less nuclear compartment essential for viral DNA replication and nucleocapsid production. The compound inhibited the translocation of a key viral DNA-binding protein (DBP) to replication centers, implicating phase separation as a critical mechanism in the compartmentalization of viral replication factors. Given that the assembly of replication complexes is fundamental to viral genome replication, 1,6-Hexanediol provides a valuable tool for investigating the role of biomolecular condensation in large DNA virus infections.

1,6-Hexanediol as a Key Precursor in the Green Synthesis of HMDA via Reductive Amination

Zhang L, er al Applied Catalysis A: General, 2024, 669, 119509.

A study demonstrated an efficient and environmentally friendly route for the production of hexamethylenediamine (HMDA) using 1,6-hexanediol (HDO) as a key precursor through reductive amination. The reaction was carried out in a 100 mL stainless steel reactor, where HDO (5 mmol) was combined with Ru/PRL(1)-Al₂O₃ (100 mg) and tert-butanol (5 mL). The system was purged with nitrogen and then heated to 220 °C. Subsequently, hydrogen (1 MPa) was introduced, and ammonia was pumped in to reach a total pressure of 16 MPa. The reaction mixture was magnetically stirred at 800 r/min.
Post-reaction analysis using gas chromatography (GC) equipped with an Rtx-50 capillary column and a flame ionization detector revealed an HMDA yield of 54%, surpassing all previously reported heterogeneous catalytic systems.

1,6-Hexanediol Used for the Catalytic Amination Synthesis of N,N,N',N'-Tetramethyl-1,6-hexanediamine

Wang Z, et al. Molecular Catalysis, 2024, 569, 114601.

1,6-Hexanediol (HDO) serves as a key precursor in the catalytic amination process to synthesize N,N,N',N'-tetramethyl-1,6-hexanediamine (TMHDA) using a Cu/Ni/Zn/γ-Al₂O₃ catalyst.
The reaction was conducted in a controlled system equipped with a reflux condenser and a collection unit to efficiently capture reaction water while minimizing the volatilization of reactants and products. The catalyst was pre-reduced under H₂ flow (0.8 L/min) at 170 °C for 40 minutes before introducing a gas mixture of dimethylamine (DMA, 60 vol%) and H₂ (40 vol%). The reaction proceeded at 200 °C, with liquid samples analyzed at 4, 6, and 8 hours. This optimized catalytic system demonstrated high efficiency in converting HDO into TMHDA, highlighting its potential for industrial-scale amination reactions.

Custom Q&A

What is the molecular formula of 1,6-Hexanediol?

The molecular formula of 1,6-Hexanediol is C6H14O2.

What is the molecular weight of 1,6-Hexanediol?

The molecular weight of 1,6-Hexanediol is 118.17 g/mol.

What is the IUPAC name of 1,6-Hexanediol?

The IUPAC name of 1,6-Hexanediol is hexane-1,6-diol.

What is the InChI key of 1,6-Hexanediol?

The InChI key of 1,6-Hexanediol is XXMIOPMDWAUFGU-UHFFFAOYSA-N.

What is the canonical SMILES of 1,6-Hexanediol?

The canonical SMILES of 1,6-Hexanediol is C(CCCO)CCO.

What is the CAS number of 1,6-Hexanediol?

The CAS number of 1,6-Hexanediol is 629-11-8.

What is the related CAS number for Poly(hexamethylene oxide) compound?

The related CAS number for Poly(hexamethylene oxide) compound is 31762-63-7.

What is the EC number of 1,6-Hexanediol?

The EC number of 1,6-Hexanediol is 211-074-0.

What is the UNII of 1,6-Hexanediol?

The UNII of 1,6-Hexanediol is ZIA319275I.

What is the XLogP3-AA value of 1,6-Hexanediol?

The XLogP3-AA value of 1,6-Hexanediol is 0.3.