cis-2-Butene-1,4-diol - ≥97% , CAS No.6117-80-2

CAS: 6117-80-2 Cat. No.: B111227 Peso molecular: 88.11 Beilstein Registry Number: 1679241 Número EC: 228-085-1

GRADE & PURITY ≥97%

Synonyms

(Z)-2-Butene-1,4-diol | (Z)-2-buten-1,4-diol | Q27295224 | B0693 | cis-2-Butene-1,4-Diol | 2-butene-1,4-diol, (2Z)- | 2-Butene-1,4-diol (mix of cis and trans) | EINECS 228-085-1 | NSC1260 | NSC-1260 | (Z)-but-2-ene-1,4-diol | Butenediol | Cis-2-Butene-1,4

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(Z)-2-Butene-1, 4-diol | (Z)-2-buten-1, 4-diol | Q27295224 | B0693 | cis-2-Butene-1, 4-Diol | 2-butene-1, 4-diol, (2Z)- | 2-Butene-1, 4-diol (mix of cis and trans) | EINECS 228-085-1 | NSC1260 | NSC-1260 | (Z)-but-2-ene-1, 4-diol | Butenediol | Cis-2-Butene-1, 4

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488190975
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190975
• Sonrisas canónicas: C(C=CCO)O
• IUPAC Name: (Z)-but-2-ene-1,4-diol
• InChIKey: ORTVZLZNOYNASJ-UPHRSURJSA-N
• INCHI: 1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1-
• Isómeros SMILES: C(/C=C\CO)O
• WGK Alemania: 3
• Peso molecular: 88.11
• Beilstein: 1679241
• Reaxy-Rn: 1735815
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1735815&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• 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.
• Índice de refracción: 1.477-1.48
• Punto de inflamación (°F): 260.6 °F
• Punto de inflamación (°C): 128℃
• Punto de ebullición (°C): 235°C
• Punto de fusión (°C): 7°C
• Peso molecular: 88.110 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 88.0524 Da
• Monoisotopic Mass: 88.0524 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 34.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Referencias

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2. Meng Li, Fengmei Ren, Haihong Ma, Weibing Xu, Zhengfa Zhou.  (2023)  Effect of double bond position and density on properties of UV-induced bio-based polyurethane adhesion-reducing adhesives.  INTERNATIONAL JOURNAL OF ADHESION AND ADHESIVES,      [PMID:] [10.1016/j.ijadhadh.2023.103381]

3. Zhang Wan-Bin, Luo Jie, Wang Yan-Meng, Zhu Xiu-Zhong, Zhang Ce, Liu Jing, Ni Mei-Le, Zhang Guang-Hua.  (2021)  Hydroxyl-terminated Polyethylenes Bearing Functional Side Groups: Facile Synthesis and Their Properties.  CHINESE JOURNAL OF POLYMER SCIENCE,  39  (8): (994-1003).  [PMID:] [10.1007/s10118-021-2572-5]

4. Kun Jiang, Han-Lin Deng, Qi Zhang, Shuifeng Wang, Hao Wu, Yan Liu, Chunpeng Chai, Mu-Hua Huang.  (2018)  Synthesis of an energetic polynorbornene with pendant bis-azidoacetyloxymethyl groups (PNBAA).  GREEN CHEMISTRY,  20  (12): (2813-2820).  [PMID:] [10.1039/C8GC00578H]

5. Zhang Maolan, Zhang Guiping, Lu Xiujuan, Abuduwaili Abuduaini, Di Tianxu, Liao Xiaoling, Sun Da.  (2024)  Synthesis of Novel High-Performance Adsorbent Based on Modified Polyurethane/Polysaccharidesfor Wastewater Treatment.  JOURNAL OF POLYMERS AND THE ENVIRONMENT,  32  (6): (2818-2834).  [PMID:] [10.1007/s10924-024-03249-x]

6. Maolan Zhang, Xuanran Luo, Maocai Jiang, Yu Wen, Peng Wang, Peixing Chen, Da Sun.  (2025)  The Development and Toxicological Evaluation of Novel Polyurethane Materials.  Toxics,  13  (6): (512).  [PMID:40559985] [10.3390/toxics13060512]

7. Qingxin Yang, Tianxu Di, Guiping Zhang, Xuanran Luo, Yuling Zhu, Yu Wen, Shuang Yang, Maolan Zhang.  (2025)  A novel polyurethane nanofiber scaffold with mechanical adaptability and anti-adhesion properties promotes tendon regeneration.  Biomaterials Advances,      [PMID:41061321] [10.1016/j.bioadv.2025.214536]

8. Ruobing Xu, Qingming Xu, Wenfei Li, Yuming Liu, Yunhui Li, Jianwei Zhu, Jianhua Tang.  (2025)  Synthesis and Characterization of EPBT Low Temperature Cured Cationic Photosensitive Resin.  JOURNAL OF APPLIED POLYMER SCIENCE,      [PMID:] [10.1002/app.58138]

9. Wangkai Xiang, Lingling Ni, Xing Zhang, Jing Li, Jian Zhou, Ying Zheng, Chengtao Yu, Bao Wang, Junfeng Liu, Pengju Pan.  (2026)  Isodimorphic-Like Crystallization and Mechanical Properties of Unsaturated Poly(butene succinate): Crucial Role of Cis/Trans Isomeric Contents.  MACROMOLECULAR RAPID COMMUNICATIONS,      [PMID:41508911] [10.1002/marc.202500947]

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