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4-Allylphenol - 97%, high purity , CAS No.501-92-8
Basic Description
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
Specifications & Purity
≥97%
Storage Temp
Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
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
Description
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.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
4-prop-2-enylphenol
INCHI
InChI=1S/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2,4-7,10H,1,3H2
InChIKey
RGIBXDHONMXTLI-UHFFFAOYSA-N
Smiles
C=CCC1=CC=C(C=C1)O
Isomeric SMILES
C=CCC1=CC=C(C=C1)O
Molecular Weight
134.18
Reaxy-Rn
2039682
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2039682&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.51
Flash Point(°C)
103 °C
Boil Point(°C)
236 °C
Molecular Weight
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
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J2308310