CAS 6994-64-5 3-Amino-2,6-dimethylphenol (HCID 81477)

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Basic information

CAS: 6994-64-5
Standard SMILES: Cc1ccc(N)c(C)c1O
InChIKey: XSBKXUJEVYHSNO-UHFFFAOYSA-N
Molecular formula: C8H11NO
Average molar mass: 137.18 g/mol
Monoisotopic mass: 137.08406397

Names & identifiers

Preferred name: 3-Amino-2,6-dimethylphenol
IUPAC: 3-amino-2,6-dimethylphenol
English name: 3-amino-2,6-xylenol
Molecular formula: C8H11NO
Molecular weight: 137.18

Names & synonyms

3-amino-2,6-dimethylphenol6994-64-5UNII-KK52J0MQ7DEINECS 230-268-6KK52J0MQ7D2,6-dimethyl-3-aminophenolDTXSID80220224Phenol, 3-amino-2,6-dimethyl-2,6-XYLENOL, 3-AMINO-2,6-DIMETHYL-5-AMINOPHENOLRefChem:92865DTXCID80142715

Show more names

3-amino-2,6-dimethylphenol HCl

3-AMINO-2,6-DIMETHYLPHENOL [INCI]230-268-63-Amino-2,6-xylenolMFCD09971645SCHEMBL1262002,6-dimethyl-3-amino phenol3-amino 2,6-dimethyl phenol3-amino-2,6-dimethyl phenol

Database identifiers

CAS: 6994-64-5
PubChem CID: 81477
DTXSID: DTXSID80220224
UNII: KK52J0MQ7D
EC Number: 230-268-6
Nikkaji: J266.044J

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

Cosmetics Ingredients Functions: HAIR DYEING
FDA UNII: 52 J0MQ7D · KK52J0MQ7D
Symbol(GHS): 7 · GHS07,GHS08
Signal word: Warning
Hazard statements: 373 · H373-H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P260-P314-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, P264, P270, P301+P317, P319, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 37 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.