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4-Butylresorcinol - 10mM in DMSO, high purity , CAS No.18979-61-8
Basic Description
Synonyms
4-Butylresorcinol | 18979-61-8 | 4-butylbenzene-1,3-diol | Butylresorcinol | Rucinol | 4-n-Butylresorcinol | N-butylresorcinol | Resorcinol, 4-butyl- | 1,3-Benzenediol, 4-butyl- | 2IK4UQ3ZGA | CHEMBL450195 | CHEBI:81689 | MFCD01684800 | 4-Butylresorcin | BRN 1942645 | UNII-2IK4UQ3ZGA |
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
4-n-butylresorcinol is a derivative of resorcinol and a potent human tyrosinase inhibitor. It may be used to decrease skin irritation and is also known to inhibit melanin production.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Benzenediols
Intermediate Tree Nodes
Not available
Direct Parent
Resorcinols
Alternative Parents
1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 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 resorcinols. These are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3.
External Descriptors
resorcinols
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(Human)
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-butylbenzene-1,3-diol
INCHI
InChI=1S/C10H14O2/c1-2-3-4-8-5-6-9(11)7-10(8)12/h5-7,11-12H,2-4H2,1H3
InChIKey
CSHZYWUPJWVTMQ-UHFFFAOYSA-N
Smiles
CCCCC1=C(C=C(C=C1)O)O
Isomeric SMILES
CCCCC1=C(C=C(C=C1)O)O
RTECS
VH0420000
Molecular Weight
166.22
Reaxy-Rn
1942645
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1942645&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
air sensitive
Boil Point(°C)
166°C/7mmHg(lit.)
Melt Point(°C)
53℃
Molecular Weight
166.220 g/mol
XLogP3
2.400
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
166.099 Da
Monoisotopic Mass
166.099 Da
Topological Polar Surface Area
40.500 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
125.000
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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