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| CAS No.: | 6062-26-6 |
|---|---|
| Name: | sodium 4-(4-chloro-o-tolyloxy)butyrate |
| Molecular Structure: | |
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| Formula: | C11H13 Cl O3 . Na |
| Molecular Weight: | 250.657 |
| Synonyms: | Butanoicacid, 4-(4-chloro-2-methylphenoxy)-, sodium salt (9CI); Butyric acid,4-[(4-chloro-o-tolyl)oxy]-, sodium salt (8CI); 2,4-MCPB sodium salt; Can-Trol;MCPB sodium salt; SYS 67MB; Sodium 4-(2-methyl-4-chlorophenoxy)butyrate; Sodium4-chloro-2-methylphenoxybutyrate; Sodium g-(2-methyl-4-chlorophenoxy)butyrate; Tropotox;[(4-Chloro-o-tolyl)oxy]butyric acid sodium salt |
| Melting Point: | 100oC; (technical 95-100oC) |
| Boiling Point: | 393.1°C at 760 mmHg |
| Flash Point: | 191.5°C |
| Safety: | Moderately toxic by ingestion and skin contact. A pesticide. When heated to decomposition it emits toxic fumes of Cl− and Na2O. |
| PSA: | 49.36000 |
| LogP: | 1.55730 |
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Chemistry
Molecular Structure of Sodium 4-(2-methyl-4-chlorophenoxy)butyrate (CAS NO. 6062-26-6):
EINECS: 227-989-3
IUPAC Name: Sodium 4-(4-chloro-2-methylphenoxy)butanoate
Molecular Formula: C11H12ClNaO3
Molecular Weight: 250.653950 g/mol
H-Bond Donor: 0
H-Bond Acceptor: 3
Canonical SMILES: CC1=C(C=CC(=C1)Cl)OCCCC(=O)[O-].[Na+]
InChI: InChI=1S/C11H13ClO3.Na/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14;/h4-5,7H,2-3,6H2,1H3,(H,13,14);/q;+1/p-1
InChIKey: GABUSZPTCJGKGB-UHFFFAOYSA-M
Flash Point: 191.5 °C
Enthalpy of Vaporization: 67.81 kJ/mol
Boiling Point: 393.1 °C at 760 mmHg
Vapour Pressure of Sodium 4-(2-methyl-4-chlorophenoxy)butyrate (CAS NO. 6062-26-6): 6.96E-07 mmHg at 25 °C
Toxicity Data With Reference
| 1. | orl-rat LD50:700 mg/kg | PCOC** Pesticide Chemicals Official Compendium ,Association of the American Pesticide Control Officials, Inc.(Topeka, KS.: 1966),715. | ||
| 2. | skn-rat LD50:1000 mg/kg | WRPCA2 World Review of Pest Control. 9 (1970),119. | ||
| 3. | orl-mus LD50:600 mg/kg | GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 10 (3)(1966),50. |
Safety Profile
Moderately toxic by ingestion and skin contact. A pesticide. When heated to decomposition it emits toxic fumes of Cl− and Na2O.
Specification
Sodium 4-(2-methyl-4-chlorophenoxy)butyrate with cas registry number of 6062-26-6 is also known as MCPB-sodium [ISO] ; (4-Chloro-o-tolyloxy)butyric acid sodium salt ; 2,4-MCPB sodium ; 4-(2-Methyl-4-chlorophenoxy)butyric acid, sodium salt ; 4-(4-Chlor-2-methyl-phenoxy)-buttersaeure natriumsalz ; 4-(4-Chlor-2-methyl-phenoxy)-buttersaeure natriumsalz [German] ; 4-(4-Chloro-2-methylphenoxy)butyric acid sodium salt ; Butanoic acid, 4-(4-chloro-2-methylphenoxy)-, sodium salt ; Butyric acid, 4-(4-chloro-2-methylphenoxy)-, sodium salt ; Butyric acid, 4-((4-chloro-o-tolyl)oxy)-, sodium salt ; Caswell No. 558A ; Chloromethylphenoxybutyric acid sodium salt ; Can-Trol ; EPA Pesticide Chemical Code 019202 ; M&B 3046 ; MCPB sodium ; MCPB sodium salt ; MCPB-sodium ; SYS 67MB ; Sodium 4-(4-chloro-o-tolyloxy)butyrate ; Tropotox .