Basic information
- Standard SMILES
Cc1ccc(O)c(N)c1- InChIKey
ZMXYNJXDULEQCK-UHFFFAOYSA-N- Molecular formula
- C7H9NO
- Average molar mass
- 123.15 g/mol
- Monoisotopic mass
- 123.06841391
Overview
2-amino-4-methylphenol is a brown powder. (NTP, 1992)
Names & identifiers
- Preferred name
- 2-Amino-4-methylphenol
- IUPAC
- 2-amino-4-methylphenol
- English name
- 2-Amino-p-cresol
- Molecular formula
- C7H9NO
- Molecular weight
- 123.15
Names & synonyms
Show more names
Database identifiers
- CAS
95-84-1- PubChem CID
- 7264
- DTXSID
DTXSID4024488- ChEMBL
CHEMBL224282- ChEBI
CHEBI:39713- UNII
- 9ZV2574SER
- EC Number
- 202-457-3
- Nikkaji
- J95.381D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 94.9
Experimental & physicochemical properties
Physical Description
2-amino-4-methylphenol is a brown powder. (NTP, 1992)
Brown solid; [CAMEO] Dark brown crystalline solid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 133 · 133-136 °C(lit.)
- Boiling point
- 229.26 °C · 229.26°C (rough estimate)
- Density
- 1.0877 · 1.0877 (rough estimate)
- refractive index
- 1.5706 · 1.5706 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- slightly soluble
- pka
- 10.06 · 10.06±0.18(Predicted)
- form
- Flakes or Crystalline Powder
- color
- Beige to gray-brown
- Water Solubility
- slightly soluble
- BRN
- 606494 · 606494
- InChI
- InChI=1S/C7H9NO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3
- InChIKey
- ZMXYNJXDULEQCK-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=C(C)C=C1N
- CAS DataBase Reference
- 95 · 95-84-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 9 ZV2574SER · 9ZV2574SER
- EPA Substance Registry System
- 2 · 2-Amino-p-cresol (95-84-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07,GHS06
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H301-H335
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39
- WGK Germany
- 2 · 2
- RTECS
- 6078000 · SJ6078000
- TSCA
- TSCA listed
- HS Code
- 29222900 · 29222900
- Storage Class
- 11 · 11 - Combustible Solids
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 1.5% (1 of 65) of reports.
Warning
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 65 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 20-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20332
Phenol, 2-amino-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Safety & protection
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- SJ6078000
- hs_code
- 29222900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS06
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H301-H335
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
Applications
Uses2-Amino-4-methylphenol was used in the synthesis of novel functionalized spiropyran derivatives of 2H-1,3-benzoxazinone series.
General DescriptionBrown powder.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
Linked notes
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