6-Chlorothymol supplier | CasNO.89-68-9

Name
4-CHLORO-2-ISOPROPYL-5-METHYLPHENOL
EINECS 201-930-1
CAS No. 89-68-9
Article Data23
CAS DataBase
Density 1.111 g/cm³
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
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
PSA 20.23000
LogP 3.47740

Synthetic route

: 89-83-8
thymol

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

Conditions

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%

: 5411-11-0
(4-chloro-2-isopropyl-5-methyl-phenoxy)-acetic acid

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

Conditions

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%

: 89-83-8
thymol

A: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

B: 7408-66-4
2-chloro-6-isopropyl-3-methylphenol

Conditions

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;

: 59-50-7
4-Chloro-3-methylphenol

: 187737-37-7
propene

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

Conditions

Conditions	Yield
With Fuller's Earth at 140 - 160℃;

: 59-50-7
4-Chloro-3-methylphenol

: 75-29-6
isopropyl chloride

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

Conditions

Conditions	Yield
With zinc(II) chloride at 80 - 90℃;

: 59-50-7
4-Chloro-3-methylphenol

: 108-20-3
di-isopropyl ether

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

Conditions

Conditions	Yield
With Fuller's Earth at 160 - 185℃;

: 507-40-4
tert-butylhypochlorite

: 89-83-8
thymol

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

Conditions

Conditions	Yield
With tetrachloromethane

: 1128-28-5
4-aminothymol

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

Conditions

Conditions	Yield
With sulfuric acid; zinc(II) sulfate at 0℃; Diazotization.Behandeln mit Kupfer(I)-chlorid-Loesung;

: 859181-31-0
(4-chloro-3-methyl-phenyl)-isopropyl ether

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

Conditions

Conditions	Yield
With sulfuric acid; acetic acid

: 59-50-7
4-Chloro-3-methylphenol

: 67-63-0
isopropyl alcohol

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

Conditions

Conditions	Yield
With sulfuric acid at 80 - 85℃;

: 7791-25-5
sulfuryl dichloride

: 89-83-8
thymol

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

: 89-83-8
thymol

: 7782-50-5
chlorine

: 64-19-7
acetic acid

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

...Expand

: 89-83-8
thymol

: 7782-50-5
chlorine

natrium carbonate: natrium carbonate

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

...Expand

: 7664-93-9
sulfuric acid

: 859181-31-0
(4-chloro-3-methyl-phenyl)-isopropyl ether

: 64-19-7
acetic acid

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

...Expand

: 108-20-3
di-isopropyl ether

: 15733-22-9
4-chloro-3-methyl phenol, sodium salt

Fuller's earth: Fuller's earth

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

Conditions

Conditions	Yield
at 160 - 185℃;

...Expand

: 15733-22-9
4-chloro-3-methyl phenol, sodium salt

: 67-63-0
isopropyl alcohol

H2SO4: H2SO4

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

Conditions

Conditions	Yield
at 80 - 85℃;

...Expand

: C18H18ClO2N

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

Conditions

Conditions	Yield
With potassium hydroxide; ethanol; glycerol In N,N-dimethyl-formamide; toluene for 2h; Heating;

: 50-00-0
formaldehyd

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

: 100126-76-9
3-chloro-6-hydroxy-5-isopropyl-2-methyl-benzaldehyde

Conditions

Conditions	Yield
With triethylamine; magnesium chloride In acetonitrile for 18h; Heating / reflux;	99%

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

: 106-95-6
allyl bromide

: 1-(allyloxy)-4-chloro-2-isopropyl-5-methylbenzene

Conditions

Conditions	Yield
With water; sodium hydroxide In acetone Williamson Ether Synthesis; Reflux;	97%
With potassium carbonate

: 13331-23-2
fur-2-ylboronic acid

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

: 1251914-04-1
4-(furan-2-yl)-2-isopropyl-5-methylphenol

Conditions

Conditions	Yield
With C46H64ClPPd; potassium carbonate In tetrahydrofuran; methanol at 20℃; for 1h; Suzuki-Miyaura Coupling; Inert atmosphere;	94%
With potassium phosphate; chloro(2-dicyclohexylphosphino-2’,4’,6’-triisopropyl-1,1‘-biphenyl)[2-(2’-amino-1,1‘-biphenyl’)]palladium(II) In tetrahydrofuran; water at 40℃; for 0.5h; Suzuki-Miyaura cross-coupling; Inert atmosphere;	83%

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

: sodium tetrakis[4-chloro-5-methyl-2-(1-methylethyl)phenoxy]borate

Conditions

Conditions	Yield
Stage #1: With boric acid In toluene for 12h; Heating; Stage #2: 4-chloro-2-isopropyl-5-methylphenol With sodium In tetrahydrofuran at 20℃;	93%

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

: 11113-50-1
boric acid

: sodium 4-chloro-5-methyl-2-(1-methylethyl)phenolate

: sodium tetrakis[4-chloro-5-methyl-2-(1-methylethyl)phenoxy]borate

Conditions

Conditions	Yield
In toluene phenol (excess) and acid heated for 2 h (Dean-Stark trape), volatiles removed (vac.), dissolved (THF), added dropwise to a soln. of Na compd. (THF), stirred for 1-12 h; ppt. filtered, washed (diethyl ether, pentane), dried (high vac.); elem.anal.;	93%

...Expand

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

: 105-36-2
ethyl bromoacetate

: 1032106-21-0
ethyl (4-chloro-2-isopropyl-5-methylphenoxy)acetate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide for 18h;	90%

: 52577-09-0
3-(chloromethyl)-4-methoxybenzaldehyde

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

: C19H21ClO3

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide; acetonitrile Reflux;	89%

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

: 89-83-8
thymol

Conditions

Conditions	Yield
With 1.5mol% Pd/C; hydrogen; sodium hydrogencarbonate In methanol at 20℃; for 1h; regioselective reaction;	80%
With alkaline solution; iron at 170 - 200℃;
With potassium hydroxide; sodium hydroxide; nickel-copper catalyst at 180℃; under 22800 Torr; Hydrogenation;
With potassium hydroxide; sodium hydroxide; nickel-manganese catalyst at 180℃; under 22800 Torr; Hydrogenation;

: 358-23-6
trifluoromethylsulfonic anhydride

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

: 4-chloro-2-isopropyl-5-methylphenyl trifluoromethanesulfonate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at -78 - 20℃; Inert atmosphere;	79%
With pyridine In dichloromethane at 0 - 20℃; for 5h; Inert atmosphere;

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

: 65535-53-7
1-(2-isocyanatoethyl)-4-fluorobenzene

: 4-chloro-2-isopropyl-5-methylphenyl 4-fluorophenethylcarbamate

Conditions

Conditions	Yield
With triethylamine In toluene Heating;	75%

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

: 75-36-5
acetyl chloride

: acetic acid-(4-chloro-2-isopropyl-5-methyl-phenyl ester)

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 0 - 20℃; for 3.25h;	72%

: 50-00-0
formaldehyd

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

: 110-70-3
N,N`-dimethylethylenediamine

: C26H38Cl2N2O2

Conditions

Conditions	Yield
In methanol	66%

...Expand

: 50-00-0
formaldehyd

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

: 78-90-0, 10424-38-1
1,2-diaminopropan

: C26H36Cl2N2O2

Conditions

Conditions	Yield
In methanol	58%
In methanol; water Mannich Aminomethylation; Reflux;

...Expand

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

: 1471239-66-3
6-bromo-4-chlorothymol

Conditions

Conditions	Yield
With N-Bromosuccinimide In chloroform at 60 - 70℃;	50%

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

: 120276-59-7
3-chloro-6-pyridazinyl methyl chloride

: 3-chloro-6-[(4-chloro-2-isopropyl-5-methylphenoxy)methyl]pyridazine

Conditions

Conditions	Yield
With potassium carbonate In acetone for 16h; Reflux; Inert atmosphere;	46%

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

: bis(3-chloro-6-hydroxy-5-isopropyl-2-methylphenyl)selenium

Conditions

Conditions	Yield
With pyridine; selenium(IV) oxide at 55℃;	36%
With pyridine; selenium(IV) oxide at 55℃; for 168h;	35%

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

: 78718-15-7
trans-4-guanidinomethylcyclohexanecarboxylic acid hydrochloride

: 83384-36-5
4-Guanidinomethyl-cyclohexanecarboxylic acid 4-chloro-2-isopropyl-5-methyl-phenyl ester; hydrochloride

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In pyridine; N,N-dimethyl-formamide	29%

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

: 96-70-8
6-di-t-butyl-4-ethylphenol

: 5-chloro-2,2’-dihydroxy-3’-(1,1-dimethylethyl)-5’-ethyl-6-methyl-3-(1-methylethyl)biphenyl

Conditions

Conditions	Yield
With selenium(IV) oxide at 55℃; for 2.33333h;	26%

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

: 105-67-9
2,4-Xylenol

: 2,2’-dihydroxy-5-chloro-3-(1-methylethyl)-3’,5’,6-trimethylbiphenyl

Conditions

Conditions	Yield
With selenium(IV) oxide at 55℃; for 1.5h;	26%

: 2409-55-4
2-tert-Butyl-4-methylphenol

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

: 5-chloro-2,2’-dihydroxy-6,5’-dimethyl-3’-(1,1-dimethylethyl)-3-(1-methylethyl)biphenyl

Conditions

Conditions	Yield
With selenium(IV) oxide at 55℃; for 2h;	22%

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

: 174180-42-8
2-methyl-2-propanyl 3-(bromomethyl)-1H-indazole-1-carboxylate

: 3-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-1H-indazole

Conditions

Conditions	Yield
Stage #1: 4-chloro-2-isopropyl-5-methylphenol With sodium hydride In N,N-dimethyl-formamide; mineral oil at 20℃; for 0.25h; Inert atmosphere; Stage #2: 2-methyl-2-propanyl 3-(bromomethyl)-1H-indazole-1-carboxylate In N,N-dimethyl-formamide; mineral oil at 20℃; for 2.5h; Inert atmosphere;	19%

: 123-75-1
pyrrolidine

: 50-00-0
formaldehyd

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

: 6300-54-5
4-chloro-6-isopropyl-3-methyl-2-pyrrolidinomethyl-phenol

Conditions

Conditions	Yield
With ethanol

...Expand

: 110-89-4
piperidine

: 50-00-0
formaldehyd

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

: 46984-56-9
4-chloro-6-isopropyl-3-methyl-2-piperidinomethyl-phenol

Conditions

Conditions	Yield
With ethanol

...Expand

: 109-01-3
1-methyl-piperazine

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

: 97636-92-5
4-chloro-6-isopropyl-3-methyl-2-(4-methyl-piperazin-1-ylmethyl)-phenol

Conditions

Conditions	Yield
With formaldehyd

: 75-44-5
phosgene

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

: 91147-76-1
chlorocarbonic acid-(4-chloro-2-isopropyl-5-methyl-phenyl ester)

Conditions

Conditions	Yield
With N,N-dimethyl-aniline; benzene

: 50-00-0
formaldehyd

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

: 15686-33-6
2,2′-methylenebis(4-chloro-3-methyl-6-(isopropyl)phenol)

Conditions

Conditions	Yield
With hydrogenchloride; acetic acid
With benzenesulfonic acid In toluene Reflux; Inert atmosphere;
With sulfuric acid In n-heptane

: 50-00-0
formaldehyd

: 89-68-9
4-chloro-2-isopropyl-5-methylphenol

: 92099-60-0
3-chloro-6-hydroxy-5-isopropyl-2-methyl-benzyl alcohol

Conditions

Conditions	Yield
With sodium hydroxide

6-Chlorothymol Chemical Properties

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

6-Chlorothymol Toxicity Data With Reference

scu-mus LD50:2460 mg/kg

SIZSAR Sapporo Igaku Zasshi. Sapporo Medical Journal. 3 (1952),73.

6-Chlorothymol Consensus Reports

Reported in EPA TSCA Inventory.

6-Chlorothymol Safety Profile

Moderately toxic by subcutaneous route. When heated to decomposition it emits toxic vapors of Cl⁻.
Hazard Codes Irritant 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

6-Chlorothymol Specification

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.

Product Name

4-CHLORO-2-ISOPROPYL-5-METHYLPHENOL

Synthetic route

6-Chlorothymol Chemical Properties

6-Chlorothymol Toxicity Data With Reference

6-Chlorothymol Consensus Reports

6-Chlorothymol Safety Profile

6-Chlorothymol Specification

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