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

CAS: 1745-81-9 Cat. No.: A151090 Fórmula: C₉H₁₀O Peso molecular: 134.18 Beilstein Registry Number: 742121 Número EC: 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

Sinónimos

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

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

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: 508808399
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508808399
• Sonrisas canónicas: 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
• Isómeros SMILES: C=CCC1=CC=CC=C1O
• WGK Alemania: 1
• RTECS: SJ3850000
• Número ONU: 1760
• Grupo de embalaje: III
• Peso molecular: 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
    • Clase Phenols
      • Subclass 1-hydroxy-4-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Objetivos asociados (no humanos)

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)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water(7 g/L).
• Sensibilidad: heat sensitive
• Índice de refracción: 1.545
• Punto de inflamación (°F): 190.4 °F
• Punto de inflamación (°C): 88°C
• Punto de ebullición (°C): 220-222°C
• Punto de fusión (°C): -6°C
• Peso molecular: 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

Referencias

1. Yaodong Zhang, Yuewen Huang, Zhijun Liu, Yihao Yang, Bin Wang, Yujie Peng.  (2023)  Facile fabrication of titanium atomic modification polyimide‑silicone coatings via moisture/thermal dual curing for high temperature protection.  PROGRESS IN ORGANIC COATINGS,      [PMID:] [10.1016/j.porgcoat.2023.108138]

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]

4. Yuan Wang, Yuanbo Cai, Youquan Ling, Haoruo Zhang, Jinfeng Tian, Zhengguang Heng, Shengtai Zhou, Shuang Xia, Mei Liang, Huawei Zou.  (2023)  Improved Mechanical and Ablative Properties of PDMS Coatings Incorporating Epoxy as a Suspended Chain.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.3c00814]

5. Guoyu Wei, Wei Zhao, Anlong Hu, Mingjian Ren, Yunxiao Huang, Huayang Xu.  (2023)  Identification of a New Pathogenic fungi Causing Sorghum Leaf Spot Disease and Its Management Using Natural Product and Microorganisms.  Microorganisms,  11  (6): (1431).  [PMID:37374932] [10.3390/microorganisms11061431]

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]

11. Yang Zheng, Guanghong Du, Yi Sun, Jiachen Wang, Wei Liu, Guanghui Cui, Zhanpeng Wu.  (2025)  Effects of Fiberized Carbons on Ablative Performances of Poly[(2,2,2-Trichloroethoxy)/(Aryloxy)] Phosphazene Flexible Heat Shielding Materials.  POLYMER COMPOSITES,      [PMID:] [10.1002/pc.30140]