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

CAS: 629-30-1 Cat. No.: H136447 Summenformel: C₇H₁₆O₂ Molekulargewicht: 132.2 Beilstein Registry Number: 1489 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥98%(GC)

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 488181645
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181645
• Kanonisches Lächeln: 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
• Isomere SMILES: C(CCCO)CCCO
• WGK Deutschland: 3
• RTECS: MI9804000
• Molekulargewicht: 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
    • Klasse Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water, slightly soluble in ether.
• Empfindlichkeit: Air sensitive
• Brechungsindex: 1.455
• Siedepunkt (°C): 259 °C
• Schmelzpunkt (°C): 17-19 °C
• Molekulargewicht: 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

Referenzen

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]