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Cas Database |
| Name |
2,4-Dimethylphenol |
EINECS | 203-321-6 |
| CAS No. | 105-67-9 | Density | 1.014 g/cm3 |
| PSA | 20.23000 | LogP | 2.00900 |
| Solubility | 0.5 g/100 mL (25 ºC) in water | Melting Point |
22-23 ºC |
| Formula | C8H10O | Boiling Point | 210.9 ºC at 760 mmHg |
| Molecular Weight | 122.167 | Flash Point | 85.6 ºC |
| Transport Information | UN 2261 6.1/PG 2 | Appearance | clear colorless to yellow liquid |
| Safety | 26-36/37/39-45-61-36/37-16-7 | Risk Codes | 24/25-34-51/53-39/23/24/25-23/24/25-11 |
| Molecular Structure |
|
Hazard Symbols |
 T, N, F
|
| Synonyms |
2,4-Xylenol(8CI);1-Hydroxy-2,4-dimethylbenzene;2,4-DMP;2,4-Dimethylphenol;4,6-Dimethylphenol;4-Hydroxy-1,3-dimethylbenzene;Phenol,2,4-dimethyl-;m-Xylenol;2,4-Dimethylphenol; |
Article Data | 161 |
2,4-Dimethylphenol Synthetic route
- 16414-81-6
1,3-dimethyl-4-trimethylsilyloxybenzene
- 105-67-9
2,4-Xylenol
| Conditions | Yield |
|---|---|
| With methanol; 1,3-disulfonic acid imidazolium hydrogen sulfate at 20℃; for 0.0666667h; Green chemistry; | 96% |
| With Nanoporous Na+-Montmorillonite Perchloric Acid In ethanol at 20℃; for 0.0833333h; | 92% |
| With caro's acid; silica gel In dichloromethane at 20℃; for 0.333333h; | 90% |
| With methanol at 20℃; for 0.116667h; | 87% |
| Conditions | Yield |
|---|---|
| Stage #1: 1-bromo-2,4-dimethylbenzene With copper(l) iodide; cesium hydroxide; 5-bromo-2-(1H-imidazol-2-yl)pyridine In water; dimethyl sulfoxide; tert-butyl alcohol at 120℃; for 36h; Inert atmosphere; Stage #2: With hydrogenchloride In water; dimethyl sulfoxide; tert-butyl alcohol pH=1 - 2; Inert atmosphere; | 90% |
| With cesiumhydroxide monohydrate; t-BuBrettPhos; C44H62NO5PPdS; water In 1,4-dioxane at 20℃; for 18h; Time; Solvent; Inert atmosphere; | 71% |
| With N1,N2-bis(thiophen-2-ylmethyl)oxalamide; caesium carbonate; copper(I) bromide; sodium hydroxide In water; dimethyl sulfoxide at 85℃; for 20h; Reagent/catalyst; Temperature; Glovebox; Schlenk technique; Sealed tube; Inert atmosphere; chemoselective reaction; |
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; bis(triphenyl)oxodiphosphonium trifluoromethanesulfonate salt In ethanol; water at 20℃; for 0.666667h; | 78% |
| With hydrogen fluoride; oxygen; arsenic(III) trioxide at 120℃; under 55163.1 Torr; | |
| With 1,2,3,4,5-pentafluoro-6-iodosylbenzene; 5,10,15,20-tetra(2',6'-dichlorophenyl)porphyrinatoiron(III) chloride In methanol; dichloromethane; water at 25℃; for 0.05h; |
| Conditions | Yield |
|---|---|
| Stage #1: m-xylene With spiro[bicyclo[2.2.1]heptane-2,4′-[1,2]dioxolane]-3′,5′-dione at 40℃; for 84h; Sealed tube; Stage #2: With methylamine In ethanol | A 5% B 78% |
| Stage #1: m-xylene With phthaloyl peroxide Heating; Stage #2: With water; sodium hydrogencarbonate In methanol at 40℃; Overall yield = 94 %; | |
| With perfluorodecanoic acid; cytochrome P450Bm3 KT2 (A191T/N239H/I259V/A276T/L353I); oxygen; NADPH In dimethyl sulfoxide at 30℃; pH=7.4; Reagent/catalyst; Enzymatic reaction; | |
| With C27H19N3O7OsS; dihydrogen peroxide; acetic acid In dichloromethane at 23℃; for 0.416667h; Inert atmosphere; Overall yield = 95 %; |
- 100-66-3
methoxybenzene
A
- 578-58-5
2-methylmethoxybenzene
B
- 108-39-4
3-methyl-phenol
C
- 108-88-3
toluene
D
- 105-67-9
2,4-Xylenol
E
- 71-43-2
benzene
F
- 108-95-2
phenol
| Conditions | Yield |
|---|---|
| With hydrogen In hexane at 340℃; under 3750.38 Torr; for 3h; Reagent/catalyst; |
- 105-67-9
2,4-Xylenol
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In benzene at 70℃; | 99% |
| With toluene-4-sulfonic acid In benzene at 70℃; | 99% |
- 1253261-50-5
2,4-bis(2,4-dimethylphenoxymethyl)allyloxybenzene
- 105-67-9
2,4-Xylenol
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; tetrakis(triphenylphosphine) palladium(0) In N,N-dimethyl-formamide at 20℃; | 89% |
- 1253261-52-7
2,4-bis(2,4-bis(2,4-dimethylphenoxymethyl)phenoxymethyl)allyloxybenzene
- 105-67-9
2,4-Xylenol
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; tetrakis(triphenylphosphine) palladium(0) In N,N-dimethyl-formamide at 20℃; | 93% |
- 93981-82-9
2,4-dimethyl(allyloxy)benzene
- 105-67-9
2,4-Xylenol
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; tetrakis(triphenylphosphine) palladium(0) In N,N-dimethyl-formamide at 20℃; for 0.5h; | 93% |
- 15174-69-3
4-hydroxy-3-methyl-benzaldehyde
- 105-67-9
2,4-Xylenol
| Conditions | Yield |
|---|---|
| With formic acid In water at 130℃; for 6h; Green chemistry; | |
| With hydrogen In ethanol at 170℃; under 7500.75 Torr; for 22h; Autoclave; |
2,4-Dimethylphenol Chemical Properties
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IUPAC Name: 2,4-Dimethylphenol
Molecular Formula: C8H10O
Molecular Weight: 122.17 g/mol
Canonical SMILES: c1(c(ccc(c1)C)O)C
InChI: InChI=1/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3
EINECS: 203-321-6
Classification Code: Agricultural Chemical; Drug / Therapeutic Agent; Germicide, bactericide, disinfectant; Tumor data
Product Categories: Aromatic Phenols; Alpha Sort; D; DAlphabetic; DID - DIN; Volatiles / Semivolatiles
Surface Tension: 37.2 dyne/cm
Density: 1.014 g/cm3
Flash Point: 85.6 °C
Enthalpy of Vaporization: 46.55 kJ/mol
Boiling Point: 210.9 °C at 760 mmHg
Melting Point: 22-23 °C(lit.)
Storage temperature: 2-8 °C
Water Solubility: 0.5 g/100 mL (25 °C)
Vapour Pressure of 2,4-Dimethylphenol (CAS NO.105-67-9): 0.129 mmHg at 25 °C
2,4-Dimethylphenol Uses
2,4-Dimethylphenol (CAS NO.105-67-9) is used for organic synthesis and manufacture of pharmaceuticals, plastics, insecticides, fungicides, rubber chem, wetting agents, dyestuffs.
2,4-Dimethylphenol Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 183mg/kg (183mg/kg) | Journal of Medicinal Chemistry. Vol. 18, Pg. 868, 1975. | |
| mouse | LD50 | intravenous | 100mg/kg (100mg/kg) | BEHAVIORAL: SLEEP | Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980. |
| mouse | LD50 | oral | 809mg/kg (809mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(2), Pg. 58, 1974. | |
| rat | LC | inhalation | > 30mg/m3 (30mg/m3) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 23(10), Pg. 52, 1979. | |
| rat | LD50 | oral | 3200mg/kg (3200mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(2), Pg. 58, 1974. | |
| rat | LD50 | skin | 1040mg/kg (1040mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(2), Pg. 58, 1974. |
2,4-Dimethylphenol Consensus Reports
Reported in EPA TSCA Inventory.
2,4-Dimethylphenol Safety Profile
Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion and skin contact. Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes: 
T,
N,
F
Risk Statements: 24/25-34-51/53-39/23/24/25-23/24/25-11
R24/25: Toxic in contact with skin and if swallowed
R34: Causes burns.
R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R39/23/24/25: Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed.
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.
R11: Highly flammable.
Safety Statements: 26-36/37/39-45-61-36/37-16-7
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S61: Avoid release to the environment. Refer to special instructions / safety data sheets.
S36/37: Wear suitable protective clothing and gloves.
S16: Keep away from sources of ignition.
S7: Keep container tightly closed.
RIDADR: UN 2261 6.1/PG 2
WGK Germany: 3
RTECS: ZE5600000
HazardClass: 6.1
PackingGroup of 2,4-Dimethylphenol (CAS NO.105-67-9): II
2,4-Dimethylphenol Specification
2,4-Dimethylphenol (CAS NO.105-67-9), its Synonyms are 2,4-Dimethylphenol ; 1-Hydroxy-2,4-dimethylbenzene ; 4,6-Dimethylphenol ; 4-Hydroxy-1,3-dimethylbenzene ; Bacticin ; Benzene, 2,4-dimethyl-1-hydroxy- ; Bulk Lysol Brand Disinfectant ; Lysol Brand disinfectant ; Phenol, 2,4-dimethyl- . It is clear colorless to yellow liquid.
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