4-Allylphenol - ≥97% , CAS No.501-92-8

CAS: 501-92-8 Cat. No.: A589273 분자식: C₉H₁₀O 분자량: 134.18 EC 번호: 207-929-2

GRADE & PURITY ≥97%

Synonyms

3-(p-Hydroxyphenyl)-1-propene | AKOS006278514 | 3-(4-Hydroxyphenyl)-1-propene | Phenol, 4-(2-propenyl)- | Q5ER4K6969 | 4-(Prop-2-enyl)-phenol | 4-ALLYLPHENOL [FHFI] | .gamma.-(p-Hydroxyphenyl)-.alpha.-propylene | EINECS 207-929-2 | 4-Allylphenol | 4-Allyl

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

동의어

3-(p-Hydroxyphenyl)-1-propene | AKOS006278514 | 3-(4-Hydroxyphenyl)-1-propene | Phenol, 4-(2-propenyl)- | Q5ER4K6969 | 4-(Prop-2-enyl)-phenol | 4-ALLYLPHENOL [FHFI] | .gamma.-(p-Hydroxyphenyl)-.alpha.-propylene | EINECS 207-929-2 | 4-Allylphenol | 4-Allyl

사양 및 순도

≥97%

보관 조건

Store at -20°C,Desiccated

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥97%

이름과 식별자

• Pubchem Sid: 528771443
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528771443
• 정식 스마일: C=CCC1=CC=C(C=C1)O
• IUPAC Name: 4-prop-2-enylphenol
• InChIKey: RGIBXDHONMXTLI-UHFFFAOYSA-N
• INCHI: 1S/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2,4-7,10H,1,3H2
• 이성체 SMILES: C=CCC1=CC=C(C=C1)O
• 분자량: 134.18
• Reaxy-Rn: 2039682
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2039682&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenols
      • Subclass 1-hydroxy-2-unsubstituted benzenoids

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

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

관련 대상(비인간)

Caenorhabditis elegans (1055 Activities)

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

Mus musculus (284745 Activities)

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

RBL-2H3 (1162 Activities)

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

작용 메커니즘

화학 및 물리적 특성

• 굴절률: 1.51
• 발화점(°C): 103 °C
• 끓는점(°C): 236 °C
• 분자량: 134.170 g/mol
• XLogP3: 2.900
• 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: 101.000
• 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