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5-CHLOROCARVACROL

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Name

5-CHLOROCARVACROL

EINECS N/A
CAS No. 5665-94-1 Density 1.111g/cm3
PSA 20.23000 LogP 3.47740
Solubility N/A Melting Point N/A
Formula C10H13 Cl O Boiling Point 270.5°C at 760 mmHg
Molecular Weight 184.666 Flash Point 117.4°C
Transport Information N/A Appearance N/A
Safety Poison by subcutaneous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl. Risk Codes N/A
Molecular Structure Molecular Structure of 5665-94-1 (LABOTEST-BB LT00233115) Hazard Symbols N/A
Synonyms

Carvacrol,5-chloro- (6CI,8CI); 4-Chloro-2-methyl-5-isopropylphenol;4-Chloro-5-isopropyl-2-methylphenol; 5-Chloro-2-hydroxy-p-cymene; Carvasept;Chlorcarvacrol; NSC 26130

Article Data 9

5-CHLOROCARVACROL Synthetic route

499-75-2

carvacrol

5665-94-1

2-methyl-5-isopropyl-4-chlorophenol

Conditions
ConditionsYield
With oxygen; lithium chloride; copper dichloride In acetic acid at 80℃; for 6h; regioselective reaction;99%
With sulfuryl dichloride In dichloromethane at 0 - 20℃;82%
With sulfuryl dichloride In tetrachloromethane at 0 - 20℃; for 0.75h;81%
117886-49-4

4-aminocarvacrol

5665-94-1

2-methyl-5-isopropyl-4-chlorophenol

Conditions
ConditionsYield
With hydrogenchloride; copper Diazotization;
diazotized 5-chloro-2-amino-p-cymene

diazotized 5-chloro-2-amino-p-cymene

5665-94-1

2-methyl-5-isopropyl-4-chlorophenol

5665-94-1

2-methyl-5-isopropyl-4-chlorophenol

106-95-6

allyl bromide

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

Conditions
ConditionsYield
With water; sodium hydroxide In acetone Williamson Ether Synthesis; Reflux;98%
5665-94-1

2-methyl-5-isopropyl-4-chlorophenol

75-36-5

acetyl chloride

C12H15ClO2

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 0 - 20℃; for 3.25h;74%
50-00-0

formaldehyd

5665-94-1

2-methyl-5-isopropyl-4-chlorophenol

775335-14-3

3-chloro-6-hydroxy-2-isopropyl-5-methylbenzaldehyde

Conditions
ConditionsYield
With triethylamine; magnesium chloride In acetonitrile at 0 - 90℃; for 168h;32%
75-44-5

phosgene

5665-94-1

2-methyl-5-isopropyl-4-chlorophenol

carbonic acid bis-(4-chloro-5-isopropyl-2-methyl-phenyl ester)

Conditions
ConditionsYield
With sodium hydroxide
64-67-5

diethyl sulfate

5665-94-1

2-methyl-5-isopropyl-4-chlorophenol

4-chloro-5-isopropyl-2-methyl-phenetole

Conditions
ConditionsYield
With sodium hydroxide
5665-94-1

2-methyl-5-isopropyl-4-chlorophenol

3926-62-3

sodium monochloroacetic acid

5825-95-6

(4-chloro-5-isopropyl-2-methyl-phenoxy)-acetic acid

Conditions
ConditionsYield
With sodium hydroxide at 90 - 100℃;
5665-94-1

2-methyl-5-isopropyl-4-chlorophenol

60741-51-7

2,4-dichloro-3-isopropyl-6-methylphenol

Conditions
ConditionsYield
With sulfuryl dichloride

5-CHLOROCARVACROL Chemical Properties

IUPAC Name:4-Chloro-2-methyl-5-propan-2-ylphenol
Synonyms: 4-Chloro-2-methyl-5-(1-methylethyl)-pheno ; 4-Chloro-2-methyl-5-(1-methylethyl)phenol ; 5-Chlorocarvacro ; Carvasept ; Chlorcarvacrol ; Mcit ; Monochloroisothymol ; LABOTEST-BB LT00233115
CAS NO: 5665-94-1
Molecular Formula of  5-Chlorocarvacro (CAS NO.5665-94-1) : C10H13ClO
Molecular Weight of 5-Chlorocarvacro (CAS NO.5665-94-1) : 184.66
Molecular Structure of 5-Chlorocarvacro (CAS NO.5665-94-1) :
EINECS: 227-122-9
Mol File: 5665-94-1.mol
Index of Refraction: 1.538
Surface Tension: 37.3 dyne/cm
Density: 1.111 g/cm3
Flash Point: 117.4 °C
Enthalpy of Vaporization: 52.92 kJ/mol
Boiling Point: 270.5 °C at 760 mmHg
Vapour Pressure: 0.00411 mmHg at 25°C

5-CHLOROCARVACROL Toxicity Data With Reference

1.    

ipr-mus LDLo:250 mg/kg

    CBCCT*    “Summary Tables of Biological Tests“ National Research Council Chemical-Biological Coordination Center. 5 (1953),338.
2.    

scu-mus LDLo:1500 mg/kg

    AEPPAE    Naunyn-Schmiedebergs Archiv fuer Experimentelle Pathologie und Pharmakologie. 161 (1931),196.
3.    

orl-cat LDLo:1000 mg/kg

    AEPPAE    Naunyn-Schmiedebergs Archiv fuer Experimentelle Pathologie und Pharmakologie. 161 (1931),196.
4.    

orl-rbt LDLo:750 mg/kg

    AEPPAE    Naunyn-Schmiedebergs Archiv fuer Experimentelle Pathologie und Pharmakologie. 161 (1931),196.
5.    

scu-frg LDLo:400 mg/kg

    AEPPAE    Naunyn-Schmiedebergs Archiv fuer Experimentelle Pathologie und Pharmakologie. 161 (1931),196.

5-CHLOROCARVACROL Safety Profile

Poison by subcutaneous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl.

5-CHLOROCARVACROL Specification

Category: Pesticides
Toxicity classification: Poisoning
Acute toxicity: abdominal - mice LDL0: 250 mg / kg; subcutaneous - mice LDL0: 1500 mg / kg
Flammable hazardous characteristics: burning of toxic chlorine gas
Storage features: Treasury ventilation, low temperature, dry
Fire-extinguishing agent: dry powder, foam, sand, water.

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