α-Dimethylamino-p-kresol

4-((Dimethylamino)methyl)phenol

HCID 32895

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Grundinformationen

CAS: 103-87-7
Standard-SMILES: CN(C)Cc1ccc(O)cc1
InChIKey: NFVPEIKDMMISQO-UHFFFAOYSA-N
Summenformel: C9H13NO
Durchschnittliche Molmasse: 151,21 g/mol
Monoisotopische Masse: 151,09971404

Namen und Bezeichner

Bevorzugter Name: 4-((Dimethylamino)methyl)phenol
IUPAC: 4-[(dimethylamino)methyl]phenol
Lokaler Name: α-Dimethylamino-p-kresol
Englischer Name: alpha-dimethylamino-p-cresol
Summenformel: C9H13NO
Molmasse: 151.21

Namen und Synonyme

4-[(dimethylamino)methyl]phenol103-87-74-((Dimethylamino)methyl)phenolUNII-XA8M8AIM6TXA8M8AIM6TPhenol, 4-((dimethylamino)methyl)-Phenol, 4-[(dimethylamino)methyl]-EINECS 203-153-3DTXSID9041495P-((DIMETHYLAMINO)METHYL)PHENOL.ALPHA.-(DIMETHYLAMINO)-P-CRESOL4-HYDROXYBENZYL-N,N-DIMETHYLAMINE

Weitere Namen anzeigen

4-(Dimethylaminomethyl)-phenol

P-CRESOL, .ALPHA.-(DIMETHYLAMINO)-RefChem:96884DTXCID7021495ALPHA-(DIMETHYLAMINO)-P-CRESOLP-CRESOL, ALPHA-(DIMETHYLAMINO)-203-153-325338-55-0alpha-Dimethylamino-p-cresol

Datenbank-Bezeichner

CAS: 103-87-7、25338-55-0
PubChem CID: 32895
DTXSID: DTXSID9041495
UNII: XA8M8AIM6T
EC Number: 203-153-3、246-866-5
Nikkaji: J141.522K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 23,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 106

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)

Physical DescriptionLiquid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 112 °C · 112 °C
Siedepunkt: 105 · 105-106 °C(Press: 18 Torr)
Dichte: 1.046 · 1.046±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 8.97 · 8.97±0.26(Predicted)
EPA chemische Informationen: 4 · 4-((Dimethylamino)methyl)phenol (103-87-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (30.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 218 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 5 Einträge

Chemical: Phenol, 4-[(dimethylamino)methyl]-

Chemical: Phenol, [(dimethylamino)methyl]-

Phenol, [(dimethylamino)methyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, [(dimethylamino)methyl]- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 28-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/28405

Phenol, (dimethylamino)methyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion, inhalation, and skin absorption; Targets the liver and kidney; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (30.3%)