1,7-Heptanediol - ≥98%(GC) , CAS No.629-30-1

CAS: 629-30-1 Cat. No.: H136447 Fórmula: C₇H₁₆O₂ Peso molecular: 132.2 Beilstein Registry Number: 1489 Número EC: 211-085-0

GRADE & PURITY ≥98%(GC)

Synonyms

1,7-Heptanediol, 95% | 1,7-HEPTANEDIOL | 1,7-HEPTANE-DIOL | EN300-85128 | H0028 | D3WFS2RR58 | AKOS015904392 | GS-6138 | NSC 3821 | SY010789 | ?1,7-Heptanediol | Heptane-1,7-diol | InChI=1/C7H16O2/c8-6-4-2-1-3-5-7-9/h8-9H,1-7H | 4-01-00-02580 (Beilstein H

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

1,7-Heptanediol, 95% | 1,7-HEPTANEDIOL | 1,7-HEPTANE-DIOL | EN300-85128 | H0028 | D3WFS2RR58 | AKOS015904392 | GS-6138 | NSC 3821 | SY010789 | ?1,7-Heptanediol | Heptane-1,7-diol | InChI=1/C7H16O2/c8-6-4-2-1-3-5-7-9/h8-9H,1-7H | 4-01-00-02580 (Beilstein H

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488181645
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181645
• Sonrisas canónicas: C(CCCO)CCCO
• IUPAC Name: heptane-1,7-diol
• InChIKey: SXCBDZAEHILGLM-UHFFFAOYSA-N
• INCHI: 1S/C7H16O2/c8-6-4-2-1-3-5-7-9/h8-9H,1-7H2
• Isómeros SMILES: C(CCCO)CCCO
• WGK Alemania: 3
• RTECS: MI9804000
• Peso molecular: 132.2
• Beilstein: 1489
• Reaxy-Rn: 1633482
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1633482&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water, slightly soluble in ether.
• Sensibilidad: Air sensitive
• Índice de refracción: 1.455
• Punto de ebullición (°C): 259 °C
• Punto de fusión (°C): 17-19 °C
• Peso molecular: 132.200 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 132.115 Da
• Monoisotopic Mass: 132.115 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 40.200
• 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

Referencias

1. Ying Sun, Qimeng Wu, Quanyou Fu, Hailin Cong, Youqing Shen, Bing Yu, Hao Hu.  (2023)  Reactive oxygen species-responsive polyprodrug micelles deliver cell cycle regulators for chemosensitization.  TALANTA,      [PMID:37801926] [10.1016/j.talanta.2023.125242]

2. Qianru Wanyan, Yaxin Qiu, Wenting Zhang, Hai Yu, Defeng Wu.  (2021)  Functional biopolyesters based on cross-linked Poly(L-malic acid): Network engineering towards tailoring brittle-ductile transition and shape-memory performance.  POLYMER,      [PMID:] [10.1016/j.polymer.2021.123628]

3. Jiabao Liu, Ke Mei, Xiaoshuang Dai, Yang Song, Lian Deng, Jianpeng Liu, Junda Liu, Neng Qiu.  (2025)  Carrier free nano-assembled redox dual-responsive biotin-artesunate conjugate for enhanced tumor therapy.  EUROPEAN JOURNAL OF PHARMACEUTICS AND BIOPHARMACEUTICS,      [PMID:40846202] [10.1016/j.ejpb.2025.114841]

4. Yushu Tian, Min Wang, Jiadong Wang, Yi Wei, Yixuan Chang, Xuan Qin, Liqun Zhang.  (2026)  Tuning Hard-Segment Regularity for Microphase Control and Property Enhancement in Hydroxyl-Terminated Polybutadiene-Based Polyurethane Elastomers.  MACROMOLECULES,      [PMID:] [10.1021/acs.macromol.5c02654]