Basic information
- CAS
6407-78-9- Standard SMILES
CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(C)cc1C- InChIKey
KLQVCADYSBUVAV-UHFFFAOYSA-N- Molecular formula
- C18H18N4O
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.1480612
Names & identifiers
- Preferred name
- Solvent Yellow 18
- IUPAC
- 4-[(2,4-dimethylphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
- English name
- 4-[(2,4-Dimethylphenyl)azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
- Molecular formula
- C18H18N4O
- Molecular weight
- 306.36
Names & synonyms
6407-78-9SOLVENT YELLOW 18C.I. Solvent yellow 184-[(2,4-dimethylphenyl)azo]-2,4-dihydro-5-methyl-2-phenyl-3h-pyrazol-3-oneUNII-L4SQI4K87SEINECS 229-043-54-((2,4-Dimethylphenyl)azo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-oneL4SQI4K87SDTXSID108637843H-Pyrazol-3-one, 4-(2-(2,4-dimethylphenyl)diazenyl)-2,4-dihydro-5-methyl-2-phenyl-3H-Pyrazol-3-one, 4-[2-(2,4-dimethylphenyl)diazenyl]-2,4-dihydro-5-methyl-2-phenyl-RefChem:184255
Show more names
c.i. 12740Food Yellow 12C.I.Food Yellow 12Transparent yellow GRC.I.Food Yellow 12:C.I.12740C.I.Solvent Yellow 18:C.I.127402-Phenyl-4-(2,4-dimethylphenylazo)-5-methyl-2H-pyrazole-3(4H)-one
Solvent Yellow 18 [INCI]DTXCID6081236316335-63-0C.I. FOOD YELLOW 12CI 127404-[(2,4-dimethylphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-oneMFCD036965223H-Pyrazol-3-one, 4-((2,4-dimethylphenyl)azo)-2,4-dihydro-5-methyl-2-phenyl-
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 495
Experimental & physicochemical properties
Food AdditivesDevices -> FDA Regulatory Status of Color Additives
Physicochemical properties
- Boiling point
- 497.8 · 497.8±45.0 °C(Predicted)
- Density
- 1.19 · 1.19
- vapor pressure
- 0 Pa · 0Pa at 25℃
- pka
- 1.45 · 1.45±0.70(Predicted)
- Water Solubility
- 62.94 μg/L · 62.94μg/L at 25℃
- Cosmetics Ingredients Functions
- HAIR DYEING
- LogP
- 5.65 at · 5.65 at 25℃
- FDA 21 CFR
- 73.3122 · 73.3122
- EWG's Food Scores
- 2 · 2-5
- FDA UNII
- 4 SQI4K87S · L4SQI4K87S
- EPA Substance Registry System
- 3 H-Pyrazol-3-one, · 3H-Pyrazol-3-one, 4-[(2,4-dimethylphenyl)azo]-2,4-dihydro-5-methyl-2-phenyl- (6407-78-9)
- TSCA
- TSCA listed
Safety & regulation
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory Information
Chemical: 3H-Pyrazol-3-one, 4-[(2,4-dimethylphenyl)azo]-2,4-dihydro-5-methyl-2-phenyl-
Hazard Traits - Bioaccumulation; Environmental Persistence
REACH registered substance: 4-[(2,4-dimethylphenyl)azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one (EC: 229-043-5)
3H-Pyrazol-3-one, 4-(2,4-dimethylphenyl)azo-2,4-dihydro-5-methyl-2-phenyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Azo Dyes that Cleave to Aromatic Amines of Potential Toxicological Concern: Human health tier II assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Inactive
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3H-Pyrazol-3-one, 4-[2-(2,4-dimethylphenyl)diazenyl]-2,4-dihydro-5-methyl-2-phenyl-: ACTIVE
Applications
UsesSolvent Yellow 18 is used in preparation methods of altering the refractive index of a lens using a polymer matrix.
Preparation methods
Preparation2,4-Dimethylbenzenamine diazo, and 3-Methyl-1-phenyl-1H-pyrazol-5(4H)-onecoupling.
Upstream & downstream products
Upstream raw materials
Suppliers32 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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