1-Naphthalenol, 4-[(4-ethoxyphenyl)azo]-

CI 12010 · Brown BB · FAT BROWN B · SOLVENT RED 3 · Solvent Red 4R · c.i.solventred3 · Solvent Red 3 (C.I.) · Fat brown B (C.I. 12010)

Identifiers & Physical Properties

CAS No.	6535-42-8
Molecular formula	C18H16N2O2
Average molar mass	292.3 g/mol
Monoisotopic mass	292.12117775 g/mol
SMILES	CCOc1ccc(N=Nc2ccc(O)c3ccccc23)cc1
InChIKey	JSEYDVLGSMLKDL-UHFFFAOYSA-N
PubChem CID	81021
DTXSID	DTXSID6064402

XLogP	4.9
Topological polar surface area	54.2
Hydrogen bond donors	1
Hydrogen bond acceptors	4
Rotatable bonds	4
Heavy atoms	22
Formal charge	0
Complexity	366
Cosmetics	Cosmetic colorantHair dyeing
Endocrine Disruptors	Potential endocrine disrupting compound
Melting point	152-155 °C
Boiling point	510.5±30.0 °C(Predicted)
Density	1.17±0.1 g/cm3(Predicted)
Storage conditions	room temp
Solubility	ethanol: 1mg/mL
Colour Index	12010
pKa (acidity coefficient)	8.39±0.40(Predicted)
Physical state	powder
Color	brown to dark brown
Major applications	diagnostic assay manufacturinghematologyhistology
Cosmetics Ingredients Functions	HAIR DYEINGCOLORANT
InChI	1S/C18H16N2O2/c1-2-22-14-9-7-13(8-10-14)19-20-17-11-12-18(21)16-6-4-3-5-15(16)17/h3-12,21H,2H2,1H3/b20-19+
InChIKey	JSEYDVLGSMLKDL-FMQUCBEESA-N
SMILES	CCOc1ccc(cc1)\N=N\c2ccc(O)c3ccccc23
LogP (partition coefficient)	3.824 (est)
EWG's Food Scores	2-5
FDA UNII	XNW2E18207
EPA Substance Registry System	1-Naphthalenol, 4-[(4-ethoxyphenyl)azo]- (6535-42-8)
UNSPSC Code	12171500
NACRES	NA.47
Water hazard class (WGK)	3
TSCA inventory status	TSCA listed
Storage class	11 - Combustible Solids