1,6-Hexanediol - ≥98% , CAS No.629-11-8

CAS: 629-11-8 Cat. No.: H103708 Molecular Weight: 118.17 Beilstein Registry Number: 1633461 EC Number: 211-074-0

GRADE & PURITY ≥98%

Synonyms

AI3-03307 | CAS-629-11-8 | H0099 | .omega.-Hexanediol | 1,6hexanediol | 1,6-HEXANEDIOL | A834086 | Hexane-1,6-diol | NCGC00258004-01 | 1,6-hexandiol | 1,6-hexan-diol | HEXAMETHYLENE GLYCOL [MI] | InChI=1/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H | EINECS 211-07

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

1,6-Hexanediol is often used to introduce C6-spacer groups into molecular substrates. It is also widely used in the synthesis of various polyesters.

Specifications

Synonyms

AI3-03307 | CAS-629-11-8 | H0099 | .omega.-Hexanediol | 1, 6hexanediol | 1, 6-HEXANEDIOL | A834086 | Hexane-1, 6-diol | NCGC00258004-01 | 1, 6-hexandiol | 1, 6-hexan-diol | HEXAMETHYLENE GLYCOL [MI] | InChI=1/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H, 1-6H | EINECS 211-07

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488181643
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181643
• Canonical Smiles: C(CCCO)CCO
• IUPAC Name: hexane-1,6-diol
• InChIKey: XXMIOPMDWAUFGU-UHFFFAOYSA-N
• INCHI: 1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2
• Isomeric SMILES: C(CCCO)CCO
• WGK Germany: 1
• RTECS: MO2100000
• Molecular Weight: 118.17
• Beilstein: 1633461
• Reaxy-Rn: 1633461
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1633461&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
• External Descriptors: primary alcohol - diol

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water.
• Sensitivity: Hygroscopic.
• Refractive Index: 1.4579
• Flash Point(°F): 215.06℉
• Flash Point(°C): 101.7℃
• Boil Point(°C): 208°C
• Melt Point(°C): 42.8°C
• Molecular Weight: 118.170 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• 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: 31.500
• 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

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80. Zhenzhen Yang, Jiahui Cai, Zitong Shen, Jiaqi Bian, Jiashang Chen, Yao Xu, Zecheng Fang, Congkun Du, Xing Xiang, Juan Wang, Peng Yu, Ruiyao Cui, Siwen Bi.  (2024)  Effect of LiTFSI Solvation on Ionic Conductivity of Polyester-Based Solid Electrolytes.  MACROMOLECULES,      [PMID:] [10.1021/acs.macromol.4c00045]

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115. Junyan Zhuang, Ye Chen, Yi Zhang, Yongrui Hai, Renming Fan, Jiarui Dou, Xintong Lu, Wenhui Wang, Bingjie Zhang, Zhuang Hou, Lei Liang, Yang Liu, Gaofei Wei.  (2026)  HB023: A glutamine antagonist prodrug boosting antitumor lmmunity via PD-L1 suppression and mitochondrial membrane remodeling.  Journal of Advanced Research,      [PMID:41633488] [10.1016/j.jare.2026.01.077]

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117. Shuai Li, Linying Zhao, Jiang Zhong, Zhihao Deng, Fangfei Wang, Zhenhua Xiong, Liang Shen.  (2026)  Regulation of mechanical properties and intrinsic self-healing performance of polyurethane via crystalline locked dynamic bonds.  POLYMER,      [PMID:] [10.1016/j.polymer.2026.129681]

118. Lei Gong, Yuesheng Zhang, Enyang Xu, Hongtao Lu, Junrui Duan, Jianna Bao.  (2026)  Construction of Fully Biodegradable Poly(L-Lactide-Co-Caprolactone) Random Copolymer/Poly(D-Lactide) Blend: Crystallization, Toughness, and Biodegradability.  POLYMER ENGINEERING AND SCIENCE,      [PMID:] [10.1002/pen.70520]

119. Zhou Xiaorui, Yang Ying, Lv Chang, Cheng Xinru, Hao Wenbo, Su Tingting, Huang Chenhao, Hu Bing.  (2026)  Influence of Carbon Chain Length and Odd–Even Effect on the Properties of Azelaic Acid-Based Aliphatic Polyesters.  JOURNAL OF POLYMERS AND THE ENVIRONMENT,  34  (4): (80).  [PMID:] [10.1007/s10924-026-03770-1]

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