Grundinformationen
- Standard-SMILES
Cc1cccc(N)c1O- InChIKey
ALQKEYVDQYGZDN-UHFFFAOYSA-N- Summenformel
- C7H9NO
- Durchschnittliche Molmasse
- 123,15 g/mol
- Monoisotopische Masse
- 123,06841391
Namen und Bezeichner
- Bevorzugter Name
- 6-Amino-o-cresol
- IUPAC
- 2-amino-6-methylphenol
- Englischer Name
- 6-Amino-2-methylphenol
- Summenformel
- C7H9NO
- Molmasse
- 123.15
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
17672-22-9- PubChem CID
- 413657
- DTXSID
DTXSID80170179- ChEMBL
CHEMBL5542658- UNII
- 4N899ESJ5B
- EC Number
- 605-780-1
- Nikkaji
- J1.712.101D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 46,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 94
Physikochemische Eigenschaften
- Schmelzpunkt
- 86 ℃ · 86℃
- Siedepunkt
- 232.9 · 232.9±28.0 °C(Predicted)
- Dichte
- 1.157 · 1.157±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 10.1 · 10.10±0.10(Predicted)
- Kosmetik-Inhaltsstoffe Funktionen
- HAIR DYEING
- InChI
- 1S/C7H9NO/c1-5-3-2-4-6(8)7(5)9/h2-4,9H,8H2,1H3
- InChIKey
- ALQKEYVDQYGZDN-UHFFFAOYSA-N
- SMILES
- Cc1cccc(N)c1O
- CAS Datenbank
- 17672 · 17672-22-9
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Toxikologische Informationen
Toxicity Summary
The Expert Panel for Cosmetic Ingredient Safety concluded that the available data are insufficient to make a determination of safety for 6-Amino-o-Cresol under the intended conditions of use as a hair dye ingredient.
Safe for use in cosmetics, with qualifications
Regulatorische Informationen
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 29222990
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 26
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden6-Amino-2-methylphenol is a colorant that has been classified as a skin sensitizer. It is used in the manufacture of inorganic pigments and other organic compounds, such as dyes and paints. 6-Amino-2-methylphenol absorbs ultraviolet radiation and reacts with chloride to form 2-amino, 6-(chloromethyl) phenol, which has been shown to have subchronic toxicity. This chemical also photodegrades in sunlight, producing free radicals that can damage cells.
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