Basic information
- CAS
3846-71-7- Standard SMILES
CC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1- InChIKey
LHPPDQUVECZQSW-UHFFFAOYSA-N- Molecular formula
- C20H25N3O
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.19976243
Names & identifiers
- Preferred name
- 2-(2'-Hydroxy-3'5-di-tert-butylphenyl) benzotriazole
- IUPAC
- 2-(benzotriazol-2-yl)-4,6-ditert-butylphenol
- English name
- UV-320
- Molecular formula
- C20H25N3O
- Molecular weight
- 323.43
Names & synonyms
Show more names
Database identifiers
- CAS
3846-71-7- PubChem CID
- 77455
- DTXSID
DTXSID4052059- UNII
- US7KL87A2P
- EC Number
- 223-346-6
- Nikkaji
- J87.339J
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 425
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 152 · 152-154°C
- Boiling point
- 444 · 444.0±55.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- Flash point
- 215 °C · 215°C
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 9.41 · 9.41±0.48(Predicted)
- form
- Solid
- color
- White to Off-White
- InChI
- InChI=1S/C20H25N3O/c1-19(2,3)13-11-14(20(4,5)6)18(24)17(12-13)23-21-15-9-7-8-10-16(15)22-23/h7-12,24H,1-6H3
- InChIKey
- LHPPDQUVECZQSW-UHFFFAOYSA-N
- SMILES
- C1(O)=C(C(C)(C)C)C=C(C(C)(C)C)C=C1N1N=C2C=CC=CC2=N1
- Substances of Very High Concern (SVHC) Candidate List
- 2 · 2-benzotriazol-2-yl-4,6-di-tert-butylphenol (UV-320) (3846-71-7)
- CAS DataBase Reference
- 3846 · 3846-71-7(CAS DataBase Reference)
- FDA UNII
- 7 KL87A2P · US7KL87A2P
- EPA Substance Registry System
- 2 · Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)- (3846-71-7)
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Warning
- Hazard statements
- 373 · H373-H351-H412
- Precautionary statements
- 273 · P273-P501-P260-P314-P501-P201-P202-P281-P308+P313-P405-P501
- Risk Statements
- 48 · 48/22-52/53
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3077 · 3077
- TSCA
- TSCA listed
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.8% (1 of 133) of reports.
Warning
H351 (85%): Suspected of causing cancer [Warning Carcinogenicity];H373 (98.5%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H412 (99.2%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P203, P260, P273, P280, P318, P319, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 133 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 133 reports by companies.;There are 7 notifications provided by 132 of 133 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)-
Hazard Traits - Bioaccumulation; Environmental Persistence;Authoritative List - EC PBTs;Report - if used as a fragrance or flavor ingredient
Substance: 2-benzotriazol-2-yl-4,6-di-tert-butylphenol (UV-320);EC: 223-346-6;Date of inclusion: >17-Dec-2014;Reason for inclusion: PBT (Article 57d); vPvB (Article 57e)
Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Carc. 2 (85%);STOT RE 2 (98.5%);Aquatic Chronic 3 (99.2%)
Specific target organ toxicity (repeated exposure) - category 2
Specific target organ toxicity - Repeated exposure - Category 1 (heart, liver, kidney, blood system)
Regulatory information
Regulatory Information
Chemical: Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)-
Hazard Traits - Bioaccumulation; Environmental Persistence;Authoritative List - EC PBTs;Report - if used as a fragrance or flavor ingredient
Substance: 2-benzotriazol-2-yl-4,6-di-tert-butylphenol (UV-320);EC: 223-346-6;Date of inclusion: >17-Dec-2014;Reason for inclusion: PBT (Article 57d); vPvB (Article 57e)
Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- tsca
- TSCA listed
- ridadr
- 3077
- risk_code
- 48/22-52/53
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- safety_code
- 26-36/37/39
- Hazard statements
- H373-H351-H412
- Precautionary statements
- P273-P501-P260-P314-P501-P201-P202-P281-P308+P313-P405-P501
Chemistry & industry
Uses & manufacturing
Applications
UsesUV-320 is a benzotriazole UV stabilizer, which is used to increase product stability and to prevent discolouration in various consumer and industrial goods such as plastics. Benzotriazole UV stabilizers are a pollutant for the aquatic environment and have been implicated as a potential stable and toxic ligands for aryl hydrocarbon receptor in human.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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