CAS No.5665-94-1,LABOTEST-BB LT00233115 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5665-94-1
Name:	LABOTEST-BB LT00233115
Article Data:	9

Formula:	C10H13 Cl O
Molecular Weight:	184.666
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
Density:	1.111g/cm³
Boiling Point:	270.5°C at 760 mmHg
Flash Point:	117.4°C
Safety:	Poison by subcutaneous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl⁻.
PSA:	20.23000
LogP:	3.47740

Synthetic route

: 499-75-2
carvacrol

: 5665-94-1
2-methyl-5-isopropyl-4-chlorophenol

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With sulfuryl dichloride

Total:21 Page 1 of 1 1

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Chemistry

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

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.

Safety Profile

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

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.