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3-(Ethylamino)-p-kresol

3-Ethylamino-4-methylphenol

HCID 8428
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Grundinformationen

CAS
120-37-6
Standard-SMILES
CCNc1cc(O)ccc1C
InChIKey
CTGSQPRDMHCIMM-UHFFFAOYSA-N
Summenformel
C9H13NO
Durchschnittliche Molmasse
151,21 g/mol
Monoisotopische Masse
151,09971404

Überblick

3-ethylamino-4-methylphenol is a purple solid. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
3-Ethylamino-4-methylphenol
IUPAC
3-(ethylamino)-4-methylphenol
Lokaler Name
3-(Ethylamino)-p-kresol
Englischer Name
3-Ethylamino-4-methylphenol
Summenformel
C9H13NO
Molmasse
151.21

Namen und Synonyme

120-37-63-(ethylamino)-4-methylphenol3-ETHYLAMINO-4-METHYLPHENOL3-Ethylamino-p-cresolPhenol, 3-(ethylamino)-4-methyl-3-(Ethylamino)-p-cresol3-Ethylamino-4-cresolCCRIS 4639DTXSID7025269EINECS 204-391-0BRN 32415488002QME89H
Weitere Namen anzeigen
3-Ethylamino3-Ethylamino-4-kresol3-Ethylamino-p-cresol>3-ETHYLAMINO-4-METHYLPHENOL5-Ethylamino-p-cresol (OH=1)4-Methyl-3-ethylaminophenol.3-Ethylamino-p-cresol (OH=1)
4-Methyl-3-ethylaminophenolDTXCID3052691-13-00-00227 (Beilstein Handbook Reference)METHYL-N-ETHYLAMINO PHENOL, 4-RefChem:5014282-Ethylamino-4-hydroxytolueneP-CRESOL, 3-(ETHYLAMINO)-MFCD00002382

Datenbank-Bezeichner

CAS
120-37-6
PubChem CID
8428
DTXSID
DTXSID7025269
ChEMBL
CHEMBL1520783
UNII
8002QME89H
EC Number
204-391-0
Nikkaji
J27.387B

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
2,3
Polarare Oberfläche (TPSA)
32,3 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
11
Formalladung
0
Komplexität
116

Experimentelle und physikochemische Eigenschaften

Solubilityless than 0.1 mg/mL at 64 °F (NTP, 1992)
Physical Description3-ethylamino-4-methylphenol is a purple solid. (NTP, 1992)

Physikochemische Eigenschaften

Schmelzpunkt
85 · 85-87 °C (lit.)
Siedepunkt
135 · 135-140°C 3mm
Dichte
1.0406 · 1.0406 (rough estimate)
Brechungsindex
1.538 · 1.5380 (estimate)
Flammpunkt
135 · 135-140°C/3mm
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand
powder to crystal
pka
10.66 · 10.66±0.18(Predicted)
Farbe
White to Gray to Red
Wasserlöslichkeit
Insoluble in water.

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationChemical: Phenol, 3-(ethylamino)-4-methyl-
DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile · 1 Eintrag

An amine and phenol. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. Phenols do not behave as organic alcohols, as one might guess from the presence of a hydroxyl (-OH) group in their structure. Instead, they react as weak organic acids. Phenols and cresols are much weaker as acids than common carboxylic acids (phenol has pKa = 9.88). These materials are incompatible with strong reducing substances such as hydrides, nitrides, alkali metals, and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat is also generated by the acid-base reaction between phenols and bases. Such heating may initiate polymerization of the organic compound. Phenols are sulfonated very readily (for example, by concentrated sulfuric acid at room temperature). The reactions generate heat. Phenols are also nitrated very rapidly, even by dilute nitric acid.

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPhenol, 3-(ethylamino)-4-methyl-: ACTIVE

Anwendungen

Verwenden3-Ethylamino-4-methylphenol was used in the synthesis of rhodol by undergoing condensation reaction with 2-(2,4-dihydroxybenzoyl)benzoic acid.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Hydrogen-9-(2,4-disulfonatophenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium, MononatriumsalzSolvent Red 2293,6-Bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethylxanthyliumchlorid

Zugehörige Reaktionen

3
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 10077
HRID 10077als Eduktuspto-grants-2006_08
Reaktionsgleichung von HRID 1483232
HRID 1483232als Eduktuspto-grants-2016_08
Reaktionsgleichung von HRID 1483234
HRID 1483234als Eduktuspto-grants-2016_08

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BRN
3241548 · 3241548
Stabilität
Stable. Incompatible with strong oxidizing agents.
InChI
1S/C9H13NO/c1-3-10-9-6-8(11)5-4-7(9)2/h4-6,10-11H,3H2,1-2H3
InChIKey
CTGSQPRDMHCIMM-UHFFFAOYSA-N
SMILES
CCNc1cc(O)ccc1C
CAS Datenbank
120 · 120-37-6(CAS DataBase Reference)
NIST chemische Informationen
3 · Phenol, 3-(ethylamino)-4-methyl-(120-37-6)
EPA chemische Informationen
3 · 3-(Ethylamino)-4-methylphenol (120-37-6)
Air and Water ReactionsThis compound may be sensitive to prolonged exposure to air. (NTP, 1992). Insoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheit und Schutzausrüstung

Fire FightingFires involving this compound can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:
Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Sicherheitsdaten

wgk
2
tsca
TSCA listed
hs_code
29222990
RTECS-Nr.
SL4105000
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39
Speicherklasse
11 - Combustible Solids
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3