4-Amino-m-cresol (HCID 17819)

Überblick

4-hydroxy-6-methylaniline is a substituted aniline in which the aniline ring carries 4-hydroxy and 6-methyl substituents; a urinary metabolite of lidocaine. It has a role as a drug metabolite. It is a member of phenols and a substituted aniline.

Namen und Bezeichner

Bevorzugter Name: 4-Amino-m-cresol
IUPAC: 4-amino-3-methylphenol
Lokaler Name: 4-Amino-m-kresol
Englischer Name: 4-Amino-3-methylphenol
Summenformel: C7H9NO
Molmasse: 123.15

Namen und Synonyme

4-Amino-3-methylphenol4-Amino-m-cresol2835-99-6Phenol, 4-amino-3-methyl-4-amino-3-cresol3-methyl-p-aminophenol4-Amino-3-methyl phenol4-hydroxy-6-methylaniline4-hydroxy-6'-methylalanineNSC 72170DTXSID20492624-OH-6'-methylalanine

Weitere Namen anzeigen

2-AMINO-5-HYDROXYTOLUENEp-Hydroxy-o-toluidine3-Methyl-4-aminophenol4-amino-meta-Amino-M-Cresol

EINECS 220-621-2UNII-12R07I1K8CBRN 2078803CCRIS 8320AI3-1631312R07I1K8CCOLOREX 4AMCJAROCOL 4A3MP

Datenbank-Bezeichner

CAS: 2835-99-6
PubChem CID: 17819
DTXSID: DTXSID2049262
ChEMBL: CHEMBL3092390
ChEBI: CHEBI:55546
UNII: 12R07I1K8C
EC Number: 220-621-2
Nikkaji: J13.765K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 46,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 94,9

Experimentelle und physikochemische Eigenschaften

Cosmetics · 2 Einträge

Cosmetic ingredients (4-Amino-m-Cresol) -> CIR (Cosmetic Ingredient Review)

Hair dyeing

Physikochemische Eigenschaften

Schmelzpunkt: 176 · 176-179 °C (lit.)
Siedepunkt: 229.26 °C · 229.26°C (rough estimate)
Dichte: 1.0877 · 1.0877 (rough estimate)
Brechungsindex: 1.538 · 1.5380 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: soluble in Methanol
pka: 10.34 · 10.34±0.18(Predicted)
Aggregatzustand: Powder
Farbe: Brown
Wasserlöslichkeit: insoluble
BRN: 2078803 · 2078803
Kosmetik-Inhaltsstoffe Funktionen: HAIR DYEING
InChI: 1S/C7H9NO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,8H2,1H3
InChIKey: QGNGOGOOPUYKMC-UHFFFAOYSA-N
SMILES: Cc1cc(O)ccc1N
LogP: 0.51 at · 0.51 at 22℃
CAS Datenbank: 2835 · 2835-99-6(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4-Amino-3-methyl phenol(2835-99-6)
EPA chemische Informationen: 4 · Phenol, 4-amino-3-methyl- (2835-99-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 0.8% (1 of 130) of reports.

Warning

H302 (99.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 130 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Phenol, 4-amino-3-methyl-

Status: Active Update: 03-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/23006

Phenol, 4-amino-3-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Phenol, 4-amino-3-methyl-: Human health tier II assessment

Hazard Classes and Categories · 2 Einträge

Acute Tox. 4 (99.2%)

Acute toxicity - category 4

Toxikologische Informationen

Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

Sicherheitsdaten

F: 8-10-23
wgk: 3
tsca: TSCA listed
ridadr: UN3077
hs_code: 29222900
RTECS-Nr.: GO6826000
risk_code: 22-36/37/38-20/21/22
hazard_code: Xn
safety_code: 26-37/39-36/37/39-36-24/25
hazard_class: 9
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Eye Irrit. 2Skin Irrit. 2

Chemie und Industrie

Verwendung und Herstellung

UsesCIR ingredient: 4-Amino-m-Cresol

Household ProductsInformation on 21 consumer products that contain 4-Amino-m-cresol in the following categories is provided:

Use ClassificationCosmetics -> Hair dyeing

General Manufacturing InformationPhenol, 4-amino-3-methyl-: ACTIVE

Anwendungen · 2 Einträge

Beschreibung4-Amino-3-methylphenol is a metabolite of 3-methyl-4-nitrophenol. It is a major metabolite of carcinogenic o-toluidine and causes DNA damage in the presence of Cu(II).

Verwenden4-Amino-3-methylphenol is a useful reagent for the synthesis of piperidine (piperazine)-amide substituted derivatives as multi-target antipsychotics.4-Amino-3-methylphenol was used in synthesis of a new type of tweezer-molecule in which a strongly preferred binding conformation is generated by convergent, intramolecular hydrogen bonding.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

1H-Indazol-5-ol

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

无锡市凯立生物科技有限公司0510-80721533 13327925606 · [email protected]

杭州倍生元生物科技有限公司15700194842 15700194842

Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: 4-hydroxy-6-methylaniline is a substituted aniline in which the aniline ring carries 4-hydroxy and 6-methyl substituents; a urinary metabolite of lidocaine. It has a role as a drug metabolite. It is a member of phenols and a substituted aniline.