Basic information
- Standard SMILES
CCCCCCCCCCCCc1cc(C)cc(-n2nc3ccccc3n2)c1O- InChIKey
VQMHSKWEJGIXGA-UHFFFAOYSA-N- Molecular formula
- C25H35N3O
- Average molar mass
- 393.6 g/mol
- Monoisotopic mass
- 393.27801275
Names & identifiers
- Preferred name
- 2-(2-Hydroxy-3-dodecyl-5-methylphenyl)benzotriazole
- IUPAC
- 2-(benzotriazol-2-yl)-6-dodecyl-4-methylphenol
- English name
- 2-(2H-Benzothiazol-2-yl)-6-(dodecyl)-4-methylphenol
- Molecular formula
- C25H35N3O
- Molecular weight
- 393.57
Names & synonyms
Show more names
Database identifiers
- CAS
125304-04-3、23328-53-2- PubChem CID
- 86375
- DTXSID
DTXSID3051886- UNII
- A1TWE4ZIKJ
- EC Number
- 639-926-0
- Nikkaji
- J791.483K
Properties
Computed structural properties
- XLogP
- 9.6
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 432
Physicochemical properties
- Melting point
- 350 °C · >350 °C(lit.)
- Boiling point
- 414 ℃[at · 414℃[at 101 325 Pa]
- Density
- 0.911 g/mL · 0.911 g/mL at 25 °C(lit.)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 20 · n20/D 1.574(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 2 O: · H2O: <0.01 ppm at 20 °C, insoluble
- Water Solubility
- 130 ng/L · 130ng/L at 20℃
- Cosmetics Ingredients Functions
- UV ABSORBER
- InChI
- InChI=1S/C25H35N3O/c1-3-4-5-6-7-8-9-10-11-12-15-21-18-20(2)19-24(25(21)29)28-26-22-16-13-14-17-23(22)27-28/h13-14,16-19,29H,3-12,15H2,1-2H3
- InChIKey
- VQMHSKWEJGIXGA-UHFFFAOYSA-N
- SMILES
- N1(N=C2C=CC=CC2=N1)C1C=C(C=C(CCCCCCCCCCCC)C=1O)C
- LogP
- 8.9 at · 8.9 at 25℃
- CAS DataBase Reference
- 125304 · 125304-04-3(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 298 PX4M11X · 298PX4M11X
- EPA Substance Registry System
- 2 · Phenol, 2-(2H-benzotriazol-2-yl)-6-dodecyl-4-methyl-, branched and linear (125304-04-3)
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 411 · H411
- Precautionary statements
- 273 · P273
- Hazard Codes
- N
- Risk Statements
- 51 · 51/53
- Safety Statements
- 61 · 61
- RIDADR
- 3082 · UN 3082 9/PG 3
- WGK Germany
- 2 · 2
- TSCA
- TSCA listed
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 · Aquatic Chronic 4
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.;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)-6-dodecyl-4-methyl-
Phenol, 2-(2H-benzotriazol-2-yl)-6-dodecyl-4-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Regulatory information
Regulatory Information
Chemical: Phenol, 2-(2H-benzotriazol-2-yl)-6-dodecyl-4-methyl-
Phenol, 2-(2H-benzotriazol-2-yl)-6-dodecyl-4-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3082 9/PG 3
- risk_code
- 51/53
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- hazard_code
- N
- safety_code
- 61
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H411
- REACH Registrations
- Active
- Hazard Classifications
- Aquatic Chronic 4
- Precautionary statements
- P273
Chemistry & industry
Applications
UsesLow volatile liquid benzotriazole UV light absorber/stabilizer.Imparts outstanding light stability and protection efficiency without imparting any yellowness to the protected substrate.
Uses2-(2H-Benzothiazol-2-yl)-6-(dodecyl)-4-methylphenol is a uV-light absorber. It helps protect a product from deterioration because of uV-light exposure.
Suppliers50 total
Related reactions
Linked notes
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