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Name |
6-Chlorothymol |
EINECS | 201-930-1 |
CAS No. | 89-68-9 | Density | 1.111 g/cm3 |
PSA | 20.23000 | LogP | 3.47740 |
Solubility | negligible | Melting Point |
60-62 °C(lit.) |
Formula | C10H13 Cl O | Boiling Point | 259-263°C |
Molecular Weight | 184.666 | Flash Point | 109.5 °C |
Transport Information | N/A | Appearance | white crystals or powder |
Safety | Moderately toxic by subcutaneous route. When heated to decomposition it emits toxic vapors of Cl−. | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | ||
Synonyms |
Thymol,6-chloro- (6CI,7CI,8CI); 2-Isopropyl-4-chloro-5-methylphenol;4-Chloro-2-isopropyl-5-methylphenol; 4-Chloro-6-isopropyl-3-methylphenol;6-Chlorothymol; Chlorothymol; Chlorthymol; NSC 406261; NSC 4964 |
Article Data | 23 |
Conditions | Yield |
---|---|
With oxygen; lithium chloride; copper dichloride In acetic acid at 80℃; for 6h; regioselective reaction; | 98% |
With oxygen; lithium chloride; copper dichloride In acetic acid at 80℃; under 760.051 Torr; for 4h; | 87% |
With sulfuryl dichloride In tetrachloromethane at 0 - 20℃; for 0.75h; | 79% |
(4-chloro-2-isopropyl-5-methyl-phenoxy)-acetic acid
4-chloro-2-isopropyl-5-methylphenol
Conditions | Yield |
---|---|
Stage #1: (4-chloro-2-isopropyl-5-methyl-phenoxy)-acetic acid With triethylamine In N,N-dimethyl-formamide; toluene for 3h; Curtius rearrangement; Heating; Stage #2: With potassium hydroxide; glycerol In ethanol; N,N-dimethyl-formamide; toluene for 2h; Heating; Further stages.; | 98% |
thymol
A
4-chloro-2-isopropyl-5-methylphenol
B
2-chloro-6-isopropyl-3-methylphenol
Conditions | Yield |
---|---|
With N-chloro-succinimide; 1-(3,5-bis(trifluoromethyl)phenyl)-3-((1S,2S)-2-(mesitylselanyl)-2,3-dihydro-1H-inden-1-yl)thiourea In chloroform-d1 at 20℃; for 12h; regioselective reaction; | A n/a B 37% |
With 2-chloro-5,5-dimethyl-1,3-cyclohexanedione; dihydrogen peroxide; sodium chloride In aq. buffer at 25℃; pH=2.75; Concentration; Time; Temperature; pH-value; Electrochemical reaction; Enzymatic reaction; |
Conditions | Yield |
---|---|
With Fuller's Earth at 140 - 160℃; |
Conditions | Yield |
---|---|
With zinc(II) chloride at 80 - 90℃; |
Conditions | Yield |
---|---|
With Fuller's Earth at 160 - 185℃; |
Conditions | Yield |
---|---|
With tetrachloromethane |
Conditions | Yield |
---|---|
With sulfuric acid; zinc(II) sulfate at 0℃; Diazotization.Behandeln mit Kupfer(I)-chlorid-Loesung; |
(4-chloro-3-methyl-phenyl)-isopropyl ether
4-chloro-2-isopropyl-5-methylphenol
Conditions | Yield |
---|---|
With sulfuric acid; acetic acid |
Conditions | Yield |
---|---|
With sulfuric acid at 80 - 85℃; |
IUPAC Name: 4-Chloro-5-methyl-2-propan-2-ylphenol
Synonyms: 1-Methyl-3-hydroxy-4-isopropyl-6-chlorobenzene ; 4-Chloro-2-isopropyl-5-methylphenol ; 6-Chloro-4-isopropyl-1-methyl-3-phenol
6-Chorothymol ; Monochlorothymol ; Phenol, 4-chloro-5-methyl-2- (1-methylethyl)- ; Phenol, 4-chloro-5-methyl-2-(1-methylethyl)-
Molecular Structure of 6-Chlorothymol (CAS NO.89-68-9) :
Molecular Formula of 6-Chlorothymol (CAS NO.89-68-9) : C10H13ClO
Molecular Weight of 6-Chlorothymol (CAS NO.89-68-9) : 184.66
CAS NO: 89-68-9
EINECS : 201-930-1
Product Categories: Aromatic Phenols
Mol File: 89-68-9.mo
Merck : 14,2170
BRN : 2084453
Index of Refraction: 1.538
Surface Tension: 37.3 dyne/cm
Density: 1.111 g/cm3
Flash Point: 109.5 °C
Melting point :60-62 ºC
Enthalpy of Vaporization: 51.49 kJ/mol
Boiling Point: 257.4 °C at 760 mmHg
Vapour Pressure: 0.00906 mmHg at 25°C
Melting point 60-62 ºC
Sensitive: Light Sensitive
Stability: Stable. Combustible. Incompatible with strong oxidizing agents, strong bases
Appearance: white crystals or powder
1. | scu-mus LD50:2460 mg/kg | SIZSAR Sapporo Igaku Zasshi. Sapporo Medical Journal. 3 (1952),73. |
Reported in EPA TSCA Inventory.
Moderately toxic by subcutaneous route. When heated to decomposition it emits toxic vapors of Cl−.
Hazard Codes Xi
Risk Statements 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany 3
RTECS XP2620000
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage: Store in a cool, dry place. Do not store in direct sunlight. Store in a tightly closed container.