Basic information
- CAS
4314-14-1- Standard SMILES
CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccccc1- InChIKey
XCKGFJPFEHHHQA-UHFFFAOYSA-N- Molecular formula
- C16H14N4O
- Average molar mass
- 278.31 g/mol
- Monoisotopic mass
- 278.11676107
Overview
See also: Solvent Yellow 16 (annotation moved to).
Names & identifiers
- Preferred name
- 2,4-dihydro-5-methyl-2-phenyl-4-(phenylazo)-3H-pyrazol-3-one
- IUPAC
- 5-methyl-2-phenyl-4-phenyldiazenyl-4H-pyrazol-3-one
- English name
- Solvent Yellow 16
- Molecular formula
- C16H14N4O
- Molecular weight
- 278.31
Names & synonyms
2,4-Dihydro-5-methyl-2-phenyl-4-(phenylazo)-3H-pyrazol-3-oneRefChem:4436144314-14-1Solvent Yellow 16Sudan Yellow 3G3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-(phenylazo)-Disperse yellow 16MFCD00068448SUDAN YELLOW 1465-methyl-2-phenyl-4-phenyldiazenyl-4H-pyrazol-3-one119371-24-35-methyl-2-phenyl-4-(phenyldiazenyl)-2,4-dihydro-3H-pyrazol-3-one
Show more names
CI 12700Oil Yellow 4ROil Yellow AGWaxol Yellow 4R.Carburex Yellow 3JPolysolve Yellow 16Sumiplast Yellow GC
(E)-5-Methyl-2-phenyl-4-(phenyldiazenyl)-2,4-dihydro-3H-pyrazol-3-one3-METHYL-1-PHENYL-4-[(1E)-2-PHENYLDIAZEN-1-YL]-4,5-DIHYDRO-1H-PYRAZOL-5-ONE3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-(2-phenyldiazenyl)-3H-pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-[2-phenyldiazenyl]-EINECS 224-330-1EC 224-330-15-methyl-2-phenyl-4-phenylazo-4H-pyrazol-3-oneCBDivE_001861
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 434
Experimental & physicochemical properties
CosmeticsCosmetic colorant
Physicochemical properties
- Melting point
- 155 °C · 155°C
- Boiling point
- 459.1 · 459.1±38.0 °C(Predicted)
- Density
- 1.23 · 1.23
- vapor pressure
- 0 · 0-0Pa at 20-50℃
- form
- Powder
- pka
- 1.45 · 1.45±0.70(Predicted)
- color
- Orange to yellow
- Cosmetics Ingredients Functions
- COLORANT
- LogP
- 5.22 at · 5.22 at 23℃ and pH7
- CAS DataBase Reference
- 4314 · 4314-14-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 83897 KOD7 · N83897KOD7
- EPA Substance Registry System
- 3 H-Pyrazol-3-one, · 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-(phenylazo)- (4314-14-1)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 98.8% (2352 of 2380) of all reports.
Not Classified
Aggregated GHS information provided per 2380 reports by companies from 6 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: 2,4-dihydro-5-methyl-2-phenyl-4-(phenylazo)-3H-pyrazol-3-one (EC: 224-330-1)
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H412
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P273-P501
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Cosmetic colorant
Applications
UsesSudan Yellow 146 is used as additive for hair coloring agents.
Preparation methods
PreparationAniline diazo, and 3-Methyl-1-phenyl-1H-pyrazol-5(4H)-onecoupling
Upstream & downstream products
Upstream raw materials
Suppliers100 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]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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