2-Amino-5-methylphenol (HCID 76082)

Names & identifiers

Preferred name: 2-Amino-5-methylphenol
IUPAC: 2-amino-5-methylphenol
English name: 6-Amino-m-cresol
Molecular formula: C7H9NO
Molecular weight: 123.15

Names & synonyms

2-Amino-5-methylphenol6-Amino-m-cresol2835-98-52-Hydroxy-4-methylanilinePhenol, 2-amino-5-methyl-4-Amino-3-hydroxytolueneQCG4ES2A26NSC-322874DTXSID20182594RefChem:85284DTXCID60105085220-620-7

Show more names

JAROCOL 2M5AP6-amino-meta-cresol6-Amino-m-cresol,98%6-Amino-m-cresol >m-Hydroxy-p-toluidine6-Amino-m-methylphenol

Cetilistat Impurity 46-Amino-3-methylphenol6-AMINO-3-CRESOLMFCD000076935-methyl-2-aminophenolEINECS 220-620-7UNII-QCG4ES2A26NSC 322874

Database identifiers

CAS: 2835-98-5
PubChem CID: 76082
DTXSID: DTXSID20182594
UNII: QCG4ES2A26
EC Number: 220-620-7
Nikkaji: J13.777D

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 94

Experimental & physicochemical properties

Kovats Retention Index1634

Physicochemical properties

Melting point: 160 · 160-162 °C(lit.)
Boiling point: 229.26 °C · 229.26°C (rough estimate)
Density: 1.0877 · 1.0877 (rough estimate)
refractive index: 1.538 · 1.5380 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 9.87 · 9.87±0.10(Predicted)
color: Beige to Dark Beige
Water Solubility: soluble
BRN: 386144 · 386144
Stability: Hygroscopic
Cosmetics Ingredients Functions: HAIR DYEING
Cosmetic Ingredient Review (CIR): 6 · 6-Amino-m-cresol (2835-98-5)
InChI: 1S/C7H9NO/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,8H2,1H3
InChIKey: HCPJEHJGFKWRFM-UHFFFAOYSA-N
SMILES: Cc1ccc(N)c(O)c1
LogP: 0.9 · 0.900 (est)
CAS DataBase Reference: 2835 · 2835-98-5(CAS DataBase Reference)
EWG's Food Scores: 3 · 3-6
FDA UNII: 4 ES2A26 · QCG4ES2A26
NIST Chemistry Reference: 2 · Phenol, 2-amino-5-methyl-(2835-98-5)
UNSPSC Code: 41116107 · 41116107
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS06
Signal word: Warning
Hazard statements: 315 · H315-H319-H301-H335
Precautionary statements: 261 · P261-P280a-P301+P310a-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 26 · 26-36-37/39
WGK Germany: 1 · 1
RTECS: 6090000 · SJ6090000
Hazard Note: Irritant
HS Code: 29222900 · 29222900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralSkin · Acute Tox. 4 OralSkin Sens. 1

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302 (62.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (89.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (42.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (89.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (89%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 109 reports by companies from 14 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.

Hazard information

Regulatory Information · 2 items

Chemical: Phenol, 2-amino-5-methyl-

Phenol, 2-amino-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Phenol, 2-amino-5-methyl-: Human health tier II assessment

Hazard Classes and Categories · 2 items

Acute Tox. 4 (62.4%)；Skin Irrit. 2 (89.9%)；Skin Sens. 1 (42.2%)；Eye Irrit. 2A (89.9%)；STOT SE 3 (89%)

Acute toxicity (ingestion) - category 4；Germ cell mutagenicity - category 2；Skin sensitisation - category 1A

Toxicology

Toxicity Summary · 2 items

The Expert Panel for Cosmetic Ingredient Safety concluded that the available data are insufficient to make a determination of safety for 6-Amino-m-Cresol under the intended conditions of use as a hair dye ingredient.

The available data are insufficient to support safety

Regulatory information

Regulatory Information · 2 items

Chemical: Phenol, 2-amino-5-methyl-

Phenol, 2-amino-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 1
rtecs: SJ6090000
hs_code: 29222900
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07,GHS06
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36-37/39
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H301-H335
Hazard Classifications: Acute Tox. 4 OralSkin Sens. 1
Precautionary statements: P261-P280a-P301+P310a-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Uses & manufacturing

UsesCIR ingredient: 6-Amino-m-Cresol

Use ClassificationCosmetics -> Hair dyeing

Applications · 2 items

Uses2-Amino-5-methylphenol was used in the synthesis of tridentate Schiff base ligand and novel non-metallocene catalysts with phenoxy-imine ligands.

General Description2-Amino-5-methylphenol reacts with bovine hemoglobin to form 2-amino-4,4α-dihydro-4α-7-dimethyl-3H-phenoxazine-3-one, which inhibits the proliferation of Poliovirus in Vero cells. It is converted to dihydrophenoxazinone by purified human hemoglobin.