3-Ethylamino-4-methylphenol

HCID 8428CAS 120-37-6

Basic information

Standard SMILES
CCNc1cc(O)ccc1C
InChIKey
CTGSQPRDMHCIMM-UHFFFAOYSA-N
Molecular formula
C9H13NO
Average molar mass
151.21 g/mol
Monoisotopic mass
151.09971404

Overview

3-ethylamino-4-methylphenol is a purple solid. (NTP, 1992)

Names & identifiers

Preferred name
3-Ethylamino-4-methylphenol
IUPAC
3-(ethylamino)-4-methylphenol
English name
3-Ethylamino-4-methylphenol
Molecular formula
C9H13NO
Molecular weight
151.21

Names & synonyms

120-37-63-(ethylamino)-4-methylphenol3-ETHYLAMINO-4-METHYLPHENOL3-Ethylamino-p-cresolPhenol, 3-(ethylamino)-4-methyl-3-(Ethylamino)-p-cresol3-Ethylamino-4-cresolCCRIS 4639DTXSID7025269EINECS 204-391-0BRN 32415488002QME89H
Show more names
3-Ethylamino3-Ethylamino-4-kresol3-Ethylamino-p-cresol>3-ETHYLAMINO-4-METHYLPHENOL5-Ethylamino-p-cresol (OH=1)4-Methyl-3-ethylaminophenol.3-Ethylamino-p-cresol (OH=1)
4-Methyl-3-ethylaminophenolDTXCID3052691-13-00-00227 (Beilstein Handbook Reference)METHYL-N-ETHYLAMINO PHENOL, 4-RefChem:5014282-Ethylamino-4-hydroxytolueneP-CRESOL, 3-(ETHYLAMINO)-MFCD00002382

Database identifiers

CAS
120-37-6
PubChem CID
8428
DTXSID
DTXSID7025269
ChEMBL
CHEMBL1520783
UNII
8002QME89H
EC Number
204-391-0
Nikkaji
J27.387B

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
32.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
11

Experimental & physicochemical properties

Solubilityless than 0.1 mg/mL at 64 °F (NTP, 1992)
Physical Description3-ethylamino-4-methylphenol is a purple solid. (NTP, 1992)

Physicochemical properties

Melting point
85 · 85-87 °C (lit.)
Boiling point
135 · 135-140°C 3mm
Density
1.0406 · 1.0406 (rough estimate)
refractive index
1.538 · 1.5380 (estimate)
Flash point
135 · 135-140°C/3mm
storage temp.
Keep in dark place,Inert atmosphere,Room temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Phenol, 3-(ethylamino)-4-methyl-
DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile · 1 item

An amine and phenol. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. Phenols do not behave as organic alcohols, as one might guess from the presence of a hydroxyl (-OH) group in their structure. Instead, they react as weak organic acids. Phenols and cresols are much weaker as acids than common carboxylic acids (phenol has pKa = 9.88). These materials are incompatible with strong reducing substances such as hydrides, nitrides, alkali metals, and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat is also generated by the acid-base reaction between phenols and bases. Such heating may initiate polymerization of the organic compound. Phenols are sulfonated very readily (for example, by concentrated sulfuric acid at room temperature). The reactions generate heat. Phenols are also nitrated very rapidly, even by dilute nitric acid.

Safety & protection

Fire FightingFires involving this compound can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

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 · 1 item

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 ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 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 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.

Isolation and EvacuationExcerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:
Personal Protective Equipment (PPE) · 1 item

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
SL4105000
hs_code
29222990
risk_code
36/37/38

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPhenol, 3-(ethylamino)-4-methyl-: ACTIVE

Applications

Uses3-Ethylamino-4-methylphenol was used in the synthesis of rhodol by undergoing condensation reaction with 2-(2,4-dihydroxybenzoyl)benzoic acid.

General DescriptionPurple solid.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]

Related reactions

3 records

Linked notes

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