2-Allylphenol - ≥98%(GC) , CAS No.1745-81-9

CAS: 1745-81-9 Cat. No.: A151090 分子式: C₉H₁₀O 分子量: 134.18 Beilstein Registry Number: 742121 EC番号: 217-119-0

GRADE & PURITY ≥98%(GC)

Synonyms

2-allyl phenol | ALPRENOLOL HYDROCHLORIDE IMPURITY B [EP IMPURITY] | DB02534 | Phenol, o-allyl- | 2-(2-propenyl)-pheno | BBL027374 | BRN 0742121 | EINECS 217-119-0 | InChI=1/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H | AS-17714 | 2-prop-2-enylphenol

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

同義語

2-allyl phenol | ALPRENOLOL HYDROCHLORIDE IMPURITY B [EP IMPURITY] | DB02534 | Phenol, o-allyl- | 2-(2-propenyl)-pheno | BBL027374 | BRN 0742121 | EINECS 217-119-0 | InChI=1/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H | AS-17714 | 2-prop-2-enylphenol

仕様と純度

≥98%(GC)

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%(GC)

名前と識別子

• パブケム・シド: 508808399
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/508808399
• カノニカル・スマイル: C=CCC1=CC=CC=C1O
• IUPAC Name: 2-prop-2-enylphenol
• InChIKey: QIRNGVVZBINFMX-UHFFFAOYSA-N
• INCHI: 1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2
• 異性体SMILES: C=CCC1=CC=CC=C1O
• WGKドイツ: 1
• RTECS: SJ3850000
• UN番号: 1760
• 包装グループ: III
• 分子量: 134.18
• Beilstein: 742121
• Reaxy-Rn: 742121
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742121&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenols
      • Subclass 1-hydroxy-4-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenols
• Subclass: 1-hydroxy-4-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-4-unsubstituted benzenoids
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position.
• External Descriptors: phenols

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

関連ターゲット（非人間）

Alternaria solani (773 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Pyricularia grisea (1253 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Botrytis cinerea (4183 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

E Lysozyme (95 Activities)

Discover Target: E

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water(7 g/L).
• 感度: heat sensitive
• 屈折率: 1.545
• 引火点（°F）: 190.4 °F
• 引火点（°C）: 88°C
• 沸点（°C）: 220-222°C
• 融点（°C）: -6°C
• 分子量: 134.170 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 134.073 Da
• Monoisotopic Mass: 134.073 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 109.000
• 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

参考文献

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2. Yifang He, Xinyu Cui, Zhishuo Liu, Fujie Lan, Jun Sun, Hongfei Li, Xiaoyu Gu, Sheng Zhang.  (2023)  A new approach to prepare flame retardant epoxy resin with excellent transmittance, mechanical properties, and anti-aging performance by the incorporation of DOPO derivative.  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2023.110579]

3. Xing Liu, Zhenhong Xiao, Xianyong Liu, Yuling Liu, Jianqing Zhao, Shumei Liu.  (2023)  Design and synthesis of epoxy prepolymer containing aromatic imide structures for thermoset with excellent thermal, mechanical and dielectric properties.  CHEMICAL ENGINEERING SCIENCE,      [PMID:] [10.1016/j.ces.2023.119149]

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6. Muyao Gao, Tianhao Li, Wenjing Kong, Xun Sun, Li Liu, Bing Li, Yujie Song, Ming Liu.  (2023)  Novel liquid phthalonitrile monomers towards high performance resin.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2023.112027]

7. Guoyu Wei, Wei Zhao, Huayang Xu, Guangming Wang, Hualei Wang, Anlong Hu.  (2024)  Phytochemicals demonstrate potential fungicidal activity against Fusarium commune, a newly identified pathogenic fungus causing rhizome rot in Polygonatum cyrtonema (giant Chinese Solomon's seal).  JOURNAL OF PHYTOPATHOLOGY,  172  (2): (e13301).  [PMID:] [10.1111/jph.13301]

8. Houchun Yan, Yujie Zhen, Anle Zhang, Tao Li, Wenxue Lu, Qingsong Li.  (2024)  Research on separation of higher-rank phenols from coal tar: A combination of liquid-liquid extraction experiments and mechanism analysis.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2024.126366]

9. Houchun Yan, He Ma, Xuqiang Li, Shaolong Dong, Qingsong Li.  (2025)  Separation of higher-rank phenols from coal tar models: a combination of experiment and mechanism analysis.  JOURNAL OF CHEMICAL THERMODYNAMICS,      [PMID:] [10.1016/j.jct.2025.107550]

10. Shumeng Wang, Jian Wang, Xutao Ma, Zhaoqi Niu, Zongwu Zhang, Peibo Xu, Beixi Chen, Xiaoyan Ma, Shishan Yang, Xiao Hou.  (2025)  Construction of phosphonitrile derivative-hybridized EPDM dense crosslinked networks for enhanced mechanics and ablation resistance.  Journal of Materials Chemistry A,      [PMID:] [10.1039/D5TA00056D]

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