1-Amino-4-hydroxyanthraquinone (HCID 8323)

Names & identifiers

Preferred name: 1-Amino-4-hydroxyanthraquinone
IUPAC: 1-amino-4-hydroxyanthracene-9,10-dione
English name: Celliton Fast Pink B
Molecular formula: C14H9NO3
Molecular weight: 239.23

Names & synonyms

1-AMINO-4-HYDROXYANTHRAQUINONE116-85-8Disperse Red 15Calcosyn Pink BC.I. Disperse Red 15Celutate Pink BNCelutate Pink BNacelan Pink BAmacel Pink BCelutate Pink BYDisperse Red 2SSetacyl Pink 3B

Show more names

param1a-4oaNSC1485NSC 1485NSC-1485SRArotVIIc.i.60710C.I. 60710

Artisil Red 3BPCibacet Red 3BPara MAcetate Fast Red 2BNeosetile Pink BNPerliton Pink 3BMicrosetile Pink BNCilla Fast Pink BN

Database identifiers

CAS: 116-85-8
PubChem CID: 8323
DTXSID: DTXSID1059440
ChEMBL: CHEMBL88326
UNII: 15FG1M8OP9
EC Number: 204-163-0
Nikkaji: J2.903C

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 80.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 18
Formal charge: 0
Complexity: 381

Experimental & physicochemical properties

Chemical ClassesDyes -> Anthraquinone Dyes

CosmeticsHair dyeing

SpringerMaterials PropertiesBoiling point

LogP1.8

Physical DescriptionPowder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 207 · 207-209 °C
Boiling point: 381.88 °C · 381.88°C (rough estimate)
Density: 1.2326 · 1.2326 (rough estimate)
refractive index: 1.47 · 1.4700 (estimate)
pka: 7.38 · 7.38±0.20(Predicted)
form: Crystalline Powder
color: Deep purple to dark brown
Water Solubility: Soluble in water, ethanol, acetone, benzene.
Henry's Law Constant: 3.8 · 3.8×105 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Cosmetics Ingredients Functions: HAIR DYEING
CAS DataBase Reference: 116 · 116-85-8(CAS DataBase Reference)
EWG's Food Scores: 1 · 1-4
FDA UNII: 15 FG1M8OP9 · 15FG1M8OP9
NIST Chemistry Reference: 1 · 1-Hydroxy-4-aminoanthraquinone(116-85-8)
EPA Substance Registry System: 9 · 9,10-Anthracenedione, 1-amino-4-hydroxy- (116-85-8)
Symbol(GHS): 8 · GHS08
Hazard statements: 341 · H341
Precautionary statements: 201 · P201-P202-P280-P308+P313-P405-P501a
Hazard Codes: Xn
Risk Statements: 68 · 68-65-40-33
Safety Statements: 36 · 36/37-24/25
RTECS: 5600000 · CB5600000
TSCA: TSCA listed
HS Code: 29225000 · 29225000
Toxicity: 50 · mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00428,

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]

P203, P280, P318, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 15 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationChemical: 9,10-Anthracenedione, 1-amino-4-hydroxy-

Other Safety InformationIMAP assessments - 9,10-Anthracenedione, 1-amino-4-hydroxy-: Environment tier I assessment

Hazards SummaryMay cause irreversible effects; Suspected to cause genetic defects; An irritant; [Alfa Aesar MSDS] See 1,4-Diaminoanthraquinone.

Hazard Classes and CategoriesMuta. 2 (100%)

Safety data

tsca: TSCA listed
rtecs: CB5600000
hs_code: 29225000
Toxicity: mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00428,
risk_code: 68-65-40-33
Symbol(GHS): GHS08
hazard_code: Xn
safety_code: 36/37-24/25
Hazard statements: H341
Precautionary statements: P201-P202-P280-P308+P313-P405-P501a

Chemistry & industry

Uses & manufacturing

Uses · 2 items

Found as an impurity in Disperse Violet 1 (CAS# 128-95-0), which is used as a hair dye; [ExPub: EC]

Dressing Hair [Category: Other]

Use ClassificationCosmetics -> Hair dyeing

General Manufacturing Information9,10-Anthracenedione, 1-amino-4-hydroxy-: ACTIVE

Applications · 1 item

UsesThe use of the inclusion complex of 1-amino-4-hydroxyanthraquinone (AHA) in the internal cavity of β-cyclodextrin confers increased sensitivity, selectivity and detection limit, and allows the determination of 10-70 ng ml-1 beryllium, compared to 60-500 ng ml-1 in the absence of the cyclodextrin.