CAS 15980-22-0 4-Amino-2,6-dimethylphenol (HCID 82668)

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Basic information

CAS: 15980-22-0
Standard SMILES: Cc1cc(N)cc(C)c1O
InChIKey: OMVFXCQLSCPJNR-UHFFFAOYSA-N
Molecular formula: C8H11NO
Average molar mass: 137.18 g/mol
Monoisotopic mass: 137.08406397

Names & identifiers

Preferred name: 4-Amino-2,6-dimethylphenol
IUPAC: 4-amino-2,6-dimethylphenol
English name: 2,6-Dimethyl-4-aminophenol
Molecular formula: C8H11NO
Molecular weight: 137.18

Names & synonyms

4-amino-2,6-dimethylphenol15980-22-0DTXSID701347117RefChem:517560DTXCID70197693829-500-4phenol, 4-amino-2,6-dimethyl-2,6-dimethyl-4-aminophenol3,5-dimethyl-4-hydroxyanilineMFCD100395602,6-Xylenol, 4-amino-4-amino-2,6-dimethyl-phenol

Show more names

4-amino-2,6-dimethylphenol(SALTDATA: HCl)

4-AMINO-2,6-DIMETHYLPHENOL 95%SCHEMBL6554764-hydroxy-3,5-dimethylanilineSCHEMBL3246567SCHEMBL6377760289D3E2XR3ALBB-010381BBL003443

Database identifiers

CAS: 15980-22-0
PubChem CID: 82668
DTXSID: DTXSID701347117
UNII: 289D3E2XR3
EC Number: 829-500-4
Nikkaji: J71.613H

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 104

Physicochemical properties

Melting point: 137 · 137-138 °C (decomp)(Solv: water (7732-18-5))
Boiling point: 282.8 · 282.8±28.0 °C(Predicted)
Density: 1.118 · 1.118±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light, stored under nitrogen
pka: 10.93 · 10.93±0.23(Predicted)
Appearance: Light brown to brown Solid
FDA UNII: 289 D3E2XR3 · 289D3E2XR3
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501