2-Amino-4,5-dimethylphenol

HCID 81099

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Basic information

CAS: 6623-41-2
Standard SMILES: Cc1cc(N)c(O)cc1C
InChIKey: JEASLLCHQHBBGM-UHFFFAOYSA-N
Molecular formula: C8H11NO
Average molar mass: 137.18 g/mol
Monoisotopic mass: 137.08406397

Names & identifiers

Preferred name: 2-Amino-4,5-dimethylphenol
IUPAC: 2-amino-4,5-dimethylphenol
English name: 2-AMINO-4,5-DIMETHYL-PHENOL
Molecular formula: C8H11NO
Molecular weight: 137.18

Names & synonyms

2-Amino-4,5-dimethylphenol6623-41-24,5-Dimethyl-2-aminophenolPhenol, 2-amino-4,5-dimethyl-3,4-Xylenol, 6-amino-4,5-Dimethyl-2-hydroxyaniline4,5-Xylenol, 2-amino-EINECS 229-578-4UNII-6076375ZIFNSC 549256076375ZIFBRN 1072207

Show more names

WLN: ZR BQ D1 E12-amino-5-xylenol2-amino-4,5-xylenolTIMTEC-BB SBB000073LABOTEST-BB LT00250932

NSC-549254-13-00-01842 (Beilstein Handbook Reference)DTXSID40644224-AMINO-5-HYDROXY-1,2-XYLENE1-AMINO-2-HYDROXY-4,5-DIMETHYLBENZENERefChem:85152DTXCID60447733,4-Xylenol, 6-amino-(8CI)

Database identifiers

CAS: 6623-41-2
PubChem CID: 81099
DTXSID: DTXSID4064422
UNII: 6076375ZIF
EC Number: 229-578-4
Nikkaji: J31.045J

Properties

Computed structural properties

XLogP: 1.6
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: 116

Physicochemical properties

Melting point: 174 °C · 174°C
Boiling point: 252.03 °C · 252.03°C (rough estimate)
Density: 1.063 · 1.0630 (rough estimate)
refractive index: 1.536 · 1.5360 (estimate)
pka: 10.18 · 10.18±0.23(Predicted)
form: solid
color: Crystals from toluene
InChI: 1S/C8H11NO/c1-5-3-7(9)8(10)4-6(5)2/h3-4,10H,9H2,1-2H3
InChIKey: JEASLLCHQHBBGM-UHFFFAOYSA-N
SMILES: Cc1cc(N)c(O)cc1C
EWG's Food Scores: 1 · 1
FDA UNII: 6076375 ZIF · 6076375ZIF
EPA Substance Registry System: 2 · 2-Amino-4,5-dimethylphenol (6623-41-2)
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301
Precautionary statements: 301 · P301+P310
Hazard Codes: Xi,T
Risk Statements: 25 · 25
Safety Statements: 45 · 45
RIDADR: 2811 · UN 2811 6.1 / PGIII
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 2922290090 · 2922290090
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 Oral · Acute Tox. 3 Oral

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, 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. 3 (100%)

Toxicology

Acute Toxicity LinkChemical: XYLENOL AMINO

Safety data

wgk: 3
tsca: TSCA listed
ridadr: UN 2811 6.1 / PGIII
hs_code: 2922290090
risk_code: 25
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: Xi,T
safety_code: 45
hazard_class: IRRITANT
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H301
Hazard Classifications: Acute Tox. 3 Oral
Precautionary statements: P301+P310