4-Amino-3,5-dimethylphenol

HCID 76543
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Basic information

CAS
3096-70-6
Standard SMILES
Cc1cc(O)cc(C)c1N
InChIKey
GCWYXRHXGLFVFE-UHFFFAOYSA-N
Molecular formula
C8H11NO
Average molar mass
137.18 g/mol
Monoisotopic mass
137.08406397

Names & identifiers

Preferred name
4-Amino-3,5-dimethylphenol
IUPAC
4-amino-3,5-dimethylphenol
English name
4-Amino-3,5-xylenol
Molecular formula
C8H11NO
Molecular weight
137.18

Names & synonyms

4-Amino-3,5-dimethylphenol3096-70-64-Amino-3,5-xylenol3,5-Dimethyl-4-aminophenol4-Hydroxy-2,6-dimethylanilinePhenol, 4-amino-3,5-dimethyl-3,5-Xylenol, 4-amino-NSC 38030EINECS 221-448-5UNII-1S8G005MHPNSC-38030BRN 2082260
Show more names
WLN: ZR DQ B1 F14-amino-5-xylenol4-Amino-3-Xylenol4-Amino-3,5-xyleol4-Hydroxy-2,6-xylidine
1S8G005MHPDTXSID8040272CHEBI:555454-13-00-01855 (Beilstein Handbook Reference)RefChem:97716DTXCID6020272Phenol, 4-amino-3,5-dimethyl-(9CI)1,3-Dimethyl-2-amino-5-xylenol

Database identifiers

CAS
3096-70-6
PubChem CID
76543
DTXSID
DTXSID8040272
ChEBI
CHEBI:55545
UNII
1S8G005MHP
EC Number
221-448-5
Nikkaji
J107.276E

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
46.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
10

Physicochemical properties

Melting point
181 °C · 181 °C
Boiling point
296.5 · 296.5±28.0 °C(Predicted)
Density
1.118 · 1.118±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
solubility
soluble in Methanol
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H400 (93%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory.；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.

Hazard information

Hazard Classes and CategoriesAquatic Acute 1 (93%)

Toxicology

Acute Toxicity LinkChemical: XYLENOL DIMETHYLAMINO

Safety data

rtecs
ZE6740000
hs_code
2922290090
risk_code
50
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
N

Chemistry & industry

Pharmacology

Metabolism/Metabolites4-hydroxy-2,6-dimethylaniline has known human metabolites that include (2S,3S,4S,5R)-6-(4-amino-3,5-dimethylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.；4-hydroxy-2,6-dimethylaniline is a known human metabolite of 2,6-Xylidine.
Tissue LocationsKidney；Liver
Metabolite PathwaysLidocaine (Antiarrhythmic) Action Pathway；Lidocaine (Local Anaesthetic) Action Pathway；Lidocaine (Local Anaesthetic) Metabolism Pathway

Uses & manufacturing

Use ClassificationMETABOLITE-MEXACARBATES

Applications

UsesA major Lidocaine metabolite.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Additional notes

DefinitionChEBI: A substituted aniline in which the aniline ring carries 4-hydroxy and 2,6-dimethyl substituents; a urinary metabolite of lidocaine.

Related reactions

24 records
New reaction record

Compound notes

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