Basic information
- CAS
83044-90-0- Standard SMILES
CCCCC(CC)COC(=O)CCc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1- InChIKey
AWEVLIFGIMIQHY-UHFFFAOYSA-N- Molecular formula
- C27H36ClN3O3
- Average molar mass
- 486 g/mol
- Monoisotopic mass
- 485.24451969
Names & identifiers
- Preferred name
- Benzenepropanoic acid, 3-(5-chloro-2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, 2-ethylhexyl ester
- IUPAC
- 2-ethylhexyl 3-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]propanoate
- English name
- 2-ethylhexyl 3-[3-tert-butyl-4-hydroxy-5-(5-chloro-2H-benzotriazol-2-yl)phenyl]propionate
- Molecular formula
- C27H36ClN3O3
- Molecular weight
- 486.05
Names & synonyms
Benzenepropanoic acid, 3-(5-chloro-2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, 2-ethylhexyl esterEINECS 280-172-3DTXSID208886052-Ethylhexyl 3-(3-tert-butyl-4-hydroxy-5-(5-chloro-2H-benzotriazol-2-yl)phenyl)propionate2-Ethylhexyl 3-[3-tert-butyl-4-hydroxy-5-(5-chloro-2H-benzotriazol-2-yl)phenyl]propionateRefChem:117695DTXCID001027881280-172-383044-90-02-ethylhexyl-3-(3-tert-butyl-4-hydroxy-5-(5-chloro-2H-benzotriazole-2-yl)phenyl]propionate2-ethylhexyl-3-[3-tert-butyl-4-hydroxy-5-(5-chloro-2h-benzotriazole-2-yl)phenyl]propionateSCHEMBL76644
Show more names
2-ethylhexyl 3-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]propanoate2-Ethylhexyl-3-[3-tert.-butyl-4-hydroxy-5-(5-chlor-2H-benzotriazol-2-yl)phenyl]propionat3-[3-tert-Butyl-5-(5-chloro-2H-benzotriazol-2-yl)-4-hydroxyphenyl]propionic acid 2-ethylhexyl ester
SCHEMBL294968452-ethylhexyl 3-[3-tert-butyl-5-(5-chloro-2H-1,2,3-benzotriazol-2-yl)-4-hydroxyphenyl]propanoateNS000595362-ethylhexyl-3-[3-tert-butyl-4-hydroxy-5-(5-chloro-2h benzotriazole-2-yl)phenyl]propionate2-[3'-t-butyl-5'-(2-(2-ethylhexyloxy)carbonylethyl)-2'-hydroxyphenyl]-5-chlorobenzotriazole2-ethylhexyl-3-[3-tert-butyl-4-hydroxy-5-(5-chloro-2H-benzotriazole-2-yl) phenyl]propionate
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 643
Physicochemical properties
- Boiling point
- 592.2 · 592.2±60.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 9.06 · 9.06±0.50(Predicted)
- EPA Substance Registry System
- 3 · Benzenepropanoic acid, 3-(5-chloro-2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, 2-ethylhexyl ester (83044-90-0)
- TSCA
- TSCA listed
Safety & regulation
Hazard information
Regulatory Information
Chemical: Benzenepropanoic acid, 3-(5-chloro-2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, 2-ethylhexyl ester
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenepropanoic acid, 3-(5-chloro-2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, 2-ethylhexyl ester: ACTIVE
Suppliers3 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
10 records
Compound notes
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