[3-[3-(2H-Benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropyl]-hydroxypoly(oxo-1,2-ethanediyl) - ≥98% , CAS No.104810-48-2

CAS: 104810-48-2 Cat. No.: H302135 Molecular Weight: 637 (monomer), 975 (dimer) EC Number: 600-603-4

GRADE & PURITY ≥98%

Synonyms

Tinuvin 1130|84268-33-7|104810-48-2|Benzenepropanoic acid, 3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, methyl ester|102577-46-8|104810-47-1|methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate|634MC97D37|UV-1130|Methyl 3-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Tinuvin 1130 | 84268-33-7 | 104810-48-2 | Benzenepropanoic acid, 3-(2H-benzotriazol-2-yl)-5-(1, 1-dimethylethyl)-4-hydroxy-, methyl ester | 102577-46-8 | 104810-47-1 | methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate | 634MC97D37 | UV-1130 | Methyl 3-

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488186776
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186776
• Canonical Smiles: CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)OC)N2N=C3C=CC=CC3=N2)O
• IUPAC Name: methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate
• InChIKey: UJRDRFZCRQNLJM-UHFFFAOYSA-N
• INCHI: 1S/C20H23N3O3/c1-20(2,3)14-11-13(9-10-18(24)26-4)12-17(19(14)25)23-21-15-7-5-6-8-16(15)22-23/h5-8,11-12,25H,9-10H2,1-4H3
• Isomeric SMILES: CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)OC)N2N=C3C=CC=CC3=N2)O
• Alternate CAS: 104810-47-1,25322-68-3
• Molecular Weight: 637 (monomer), 975 (dimer)
• Reaxy-Rn: 7724596
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7724596&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Triazoles
        • Level5 Phenyltriazoles
          • Level6 Phenyl-1,2,3-triazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Triazoles
• Intermediate Tree Nodes: Phenyltriazoles
• Direct Parent: Phenyl-1,2,3-triazoles
• Alternative Parents: Phenylpropanes Benzotriazoles Phenols Fatty acid esters Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenyl-1,2,3-triazole - Benzotriazole - Phenylpropane - Fatty acid ester - Phenol - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenyl-1,2,3-triazoles. These are organic compounds containing a 1,2,3-triazole substituted by a phenyl group.
• 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

• Molecular Weight: 353.400 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 353.174 Da
• Monoisotopic Mass: 353.174 Da
• Topological Polar Surface Area: 77.200 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 479.000
• 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

References

1. Hao Li, Hao-Jie Yan, Hui-Song Hu, You-Lin Zhang, Qin-Hao Zhang, Xian-Ze Meng, Lian-Kui Wu, Fa-He Cao.  (2025)  Triple-synergistic heterostructure nanocomposite achieving superior UV stability, stimuli-responsive protection, and corrosion resistance in marine coating.  JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY,      [PMID:] [10.1016/j.jmst.2025.09.053]

2. Bowen Deng, Dan Fang, Yuyang Wang, Mengyuan Lv, Jinqing You, Shuangjiao Xu, Lei Ma, Di Chen.  (2025)  One-step synthesized cottonseed hull-derived magnetic biochar for efficient extraction and determination of benzotriazole-based UV stabilizers.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2025.108503]