1-O-Hexyl-2,3,5-trimethylhydroquinone - ≥98% , CAS No.148081-72-5

CAS: 148081-72-5 Cat. No.: O340159 Molecular Weight: 236.35

GRADE & PURITY ≥98%

Synonyms

HX 1171 | HTHQ(1-O-Hexyl-2,3,5-trimethylhydroquinone) | HEXYLOXY TRIMETHYLPHENOL [INCI] | J-008439 | 1-O-Hexyl-2,3,5-trimethylhydroquinone | CAS-148081-72-5 | UNII-70BK60I8RP | HTHQ | 4-hexoxy-2,3,6-trimethylphenol | HX-1171 | (1S-(1alpha,3beta,4alpha,5al

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Product Describtion:

1-O-hexyl-2,3,5-trimethylhydroquinone (HTHQ) is a potent lipophilic phenolic antioxidant. HTHQ has considerable anti-oxidative activity by directly reacting with reactive oxygen species (ROS) and scavenging ROS to form more stable free radicals 

Specifications

Synonyms

HX 1171 | HTHQ(1-O-Hexyl-2, 3, 5-trimethylhydroquinone) | HEXYLOXY TRIMETHYLPHENOL [INCI] | J-008439 | 1-O-Hexyl-2, 3, 5-trimethylhydroquinone | CAS-148081-72-5 | UNII-70BK60I8RP | HTHQ | 4-hexoxy-2, 3, 6-trimethylphenol | HX-1171 | (1S-(1alpha, 3beta, 4alpha, 5al

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504756809
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756809
• Canonical Smiles: CCCCCCOC1=C(C(=C(C(=C1)C)O)C)C
• IUPAC Name: 4-hexoxy-2,3,6-trimethylphenol
• InChIKey: ATMNQRRJNBCQJO-UHFFFAOYSA-N
• INCHI: 1S/C15H24O2/c1-5-6-7-8-9-17-14-10-11(2)15(16)13(4)12(14)3/h10,16H,5-9H2,1-4H3
• Isomeric SMILES: CCCCCCOC1=C(C(=C(C(=C1)C)O)C)C
• Molecular Weight: 236.35
• Reaxy-Rn: 3280272
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3280272&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass 4-alkoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: 4-alkoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-alkoxyphenols
• Alternative Parents: Phenoxy compounds Phenol ethers Ortho cresols Meta cresols Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-alkoxyphenol - Phenoxy compound - Phenol ether - O-cresol - M-cresol - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 4-alkoxyphenols. These are phenols that carry an alkoxy group at the 4-position of the benzene ring.
• External Descriptors: Not available

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

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Melt Point(°C): 73.0 ~77.0 °C
• Molecular Weight: 236.350 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 236.178 Da
• Monoisotopic Mass: 236.178 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 205.000
• 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