3-(o-Ethylphenoxy)-1,2-propanediol

Modify Date: 2024-01-14 11:41:41

3-(o-Ethylphenoxy)-1,2-propanediol Structure
3-(o-Ethylphenoxy)-1,2-propanediol structure
Common Name 3-(o-Ethylphenoxy)-1,2-propanediol
CAS Number 7149-82-8 Molecular Weight 196.24300
Density 1.123g/cm3 Boiling Point 349.3ºC at 760 mmHg
Molecular Formula C11H16O3 Melting Point N/A
MSDS N/A Flash Point 165.1ºC

 Names

Name 3-(2-ethylphenoxy)propane-1,2-diol

 Chemical & Physical Properties

Density 1.123g/cm3
Boiling Point 349.3ºC at 760 mmHg
Molecular Formula C11H16O3
Molecular Weight 196.24300
Flash Point 165.1ºC
Exact Mass 196.11000
PSA 49.69000
LogP 0.98100
Index of Refraction 1.539

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TY6742000
CHEMICAL NAME :
1,2-Propanediol, 3-(o-ethylphenoxy)-
CAS REGISTRY NUMBER :
7149-82-8
BEILSTEIN REFERENCE NO. :
3254153
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C11-H16-O3
MOLECULAR WEIGHT :
196.27
WISWESSER LINE NOTATION :
Q1YQ1OR B2

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 :
392 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JACSAT Journal of the American Chemical Society. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1879- Volume(issue)/page/year: 73,349,1951
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1254 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - muscle weakness Lungs, Thorax, or Respiration - other changes
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,470,1948

 Synthetic Route

~86%

3-(o-Ethylphenoxy)-1,2-propanediol Structure

3-(o-Ethylpheno...

CAS#:7149-82-8

Literature: Hadimani, Mallinath B.; Purohit, Meena K.; Vanampally, Chandrashaker; Van Der Ploeg, Randy; Arballo, Victor; Morrow, Dwane; Frizzi, Katie E.; Calcutt, Nigel A.; Fernyhough, Paul; Kotra, Lakshmi P. Journal of Medicinal Chemistry, 2013 , vol. 56, # 12 p. 5071 - 5078

 Precursor & DownStream

Precursor  2

DownStream  0