5-Amino-2-methylphenol - CAS 2835-95-2
Catalog: |
BB019827 |
Product Name: |
5-Amino-2-methylphenol |
CAS: |
2835-95-2 |
Synonyms: |
Phenol, 5-amino-2-methyl-; o-Cresol, 5-amino-; 1-Methyl-2-hydroxy-4-aminobenzene; 2-Hydroxy-4-aminotoluene; 2-Methyl-5-aminophenol; 3-Amino-6-methylphenol; 3-Hydroxy-4-methylaniline; 3-Hydroxy-p-toluidine; 4-Amino-2-hydroxytoluene; 5-Amino-2-cresol; 5-Amino-o-cresol; 6-Methyl-3-aminophenol |
IUPAC Name: | 5-amino-2-methylphenol |
Molecular Weight: | 123.15 |
Molecular Formula: | C7H9NO |
Canonical SMILES: | CC1=C(C=C(C=C1)N)O |
InChI: | InChI=1S/C7H9NO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,8H2,1H3 |
InChI Key: | DBFYESDCPWWCHN-UHFFFAOYSA-N |
Boiling Point: | 268.6±20.0°C at 760 mmHg |
Melting Point: | 161°C |
Purity: | 95% |
Density: | 1.157±0.06 g/cm3 |
Solubility: | Soluble in DMSO (Slightly), Methanol (Slightly) |
Appearance: | Off-white to Light Brown Solid |
Storage: | Store at 2-8°C |
Decomposition: | When heated to decomposition it emits toxic fumes of /nitrogen oxide |
MDL: | MFCD00043922 |
LogP: | 1.86400 |
Stability: | Stable |
Vapor Pressure: | 0.00026 [mmHg] |
GHS Hazard Statement: | H315 (83.26%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021124348-A1 | Multiple-compartment device comprising at least one internal frangible seal containing a keratin fibers dyeing composition | 20191220 |
US-2021177717-A1 | M-aminophenol-free hair-colouring compositions | 20191216 |
WO-2021116306-A1 | Hybrid microcapsules | 20191213 |
WO-2021113042-A1 | Weatherable and durable coating compositions | 20191205 |
WO-2021113043-A1 | Weatherable and durable coating compositions | 20191205 |
PMID | Publication Date | Title | Journal |
24172597 | 20131215 | Contact sensitizing potential of pyrogallol and 5-amino-o-cresol in female BALB/c mice | Toxicology |
19845432 | 20091101 | Metabolite screening of aromatic amine hair dyes using in vitro hepatic models | Xenobiotica; the fate of foreign compounds in biological systems |
19100279 | 20090215 | Skin metabolism of aminophenols: human keratinocytes as a suitable in vitro model to qualitatively predict the dermal transformation of 4-amino-2-hydroxytoluene in vivo | Toxicology and applied pharmacology |
19207391 | 20090201 | Contact dermatitis to 4-amino-2-hydroxytoluene in hair dye | Contact dermatitis |
18197558 | 20080201 | Metabolism and disposition of [14C]5-amino-o-cresol in female F344 rats and B6C3F1 mice | Xenobiotica; the fate of foreign compounds in biological systems |
Complexity: | 94.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 123.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 123.068413911 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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