2-(4-chloro-3-pentadecyl-phenoxy)propanoic acid

Modify Date: 2025-09-25 09:43:19

2-(4-chloro-3-pentadecyl-phenoxy)propanoic acid Structure
2-(4-chloro-3-pentadecyl-phenoxy)propanoic acid structure
Common Name 2-(4-chloro-3-pentadecyl-phenoxy)propanoic acid
CAS Number 111254-00-3 Molecular Weight 411.01800
Density 1.025g/cm3 Boiling Point 513.4ºC at 760mmHg
Molecular Formula C24H39ClO3 Melting Point N/A
MSDS N/A Flash Point 264.3ºC

 Names

Name 2-(4-Chloro-3-pentadecylphenoxy)propanoic acid

 Chemical & Physical Properties

Density 1.025g/cm3
Boiling Point 513.4ºC at 760mmHg
Molecular Formula C24H39ClO3
Molecular Weight 411.01800
Flash Point 264.3ºC
Exact Mass 410.25900
PSA 46.53000
LogP 7.82560
Vapour Pressure 2.3E-11mmHg at 25°C
Index of Refraction 1.502
InChIKey BXCGNVVWPJBXIW-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCCCCc1cc(OC(C)C(=O)O)ccc1Cl

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UA2456400
CHEMICAL NAME :
Propanoic acid, 2-(4-chloro-3-pentadecylphenoxy)-
CAS REGISTRY NUMBER :
111254-00-3
LAST UPDATED :
199212
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C24-H39-Cl-O3
MOLECULAR WEIGHT :
411.08

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
INDRBA Indian Drugs. (Indian Drugs Manufacturers' Assoc., 102B, Poonam Chambers, Dr. A. B. Rd., Worli, Bombay 400 018, India) V.1- 1963- Volume(issue)/page/year: 24,514,1987
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