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S-Propyl butylethylthiocarbamate

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Name

S-Propyl butylethylthiocarbamate

EINECS 214-215-4
CAS No. 1114-71-2 Density 0.959 g/cm3
PSA 45.61000 LogP 3.37160
Solubility 92mg/L(21 oC) Melting Point <25℃
Formula C10H21 N O S Boiling Point 272.8 °C at 760 mmHg
Molecular Weight 203.349 Flash Point 118.8 °C
Transport Information N/A Appearance N/A
Safety Moderately toxic by ingestion. Causes violent vomiting when accompanied by alcohol ingestion. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits highly toxic fumes of SOx and NOx. See also CARBAMATES. Risk Codes 22-51/53
Molecular Structure Molecular Structure of 1114-71-2 (PEBULATE) Hazard Symbols Toxic by ingestion.
Synonyms

Carbamic acid,butylethylthio-, S-propyl ester (6CI,8CI); Carbamothioic acid, butylethyl-,S-propyl ester (9CI); Butylethylthiocarbamic acid S-propyl ester; PEBC;Pebulate; R 2061; S-Propyl butylethylthiocarbamate;S-Propyl-N-butyl-N-ethylthiocarbamate; S-Propyl-N-ethyl-N-butylthiocarbamate;Stauffer 2061; Stauffer R 2061; Tillam

Article Data 13

S-Propyl butylethylthiocarbamate Chemical Properties

Empirical Formula: C10H21NOS
Molecular Weight: 203.3448 
EINECS: 214-215-4
Storage temp: 0-6 °C
Index of Refraction: 1.479
Density: 0.959 g/cm3
Flash Point: 118.8 °C
Enthalpy of Vaporization: 51.11 kJ/mol
Boiling Point: 272.8 °C at 760 mmHg
Vapour Pressure: 0.00596 mmHg at 25 °C 
Appearance: Colorless to yellow liquid with aromatic odor
Product categories of S-Propyl butylethylthiocarbamate  (CAS NO.1114-71-2): Alphabetic;Alpha sort;Herbicides;Pesticides & Metabolites;Thiocarbamates;N-PAlphabetic
Structure of S-Propyl butylethylthiocarbamate  (CAS NO.1114-71-2):
            
XLogP3: 3.8
H-Bond Donor: 0
H-Bond Acceptor: 1 
IUPAC Name: S-Propyl N-butyl-N-ethylcarbamothioate
Canonical SMILES: CCCCN(CC)C(=O)SCCC
InChI: InChI=1S/C10H21NOS/c1-4-7-8-11(6-3)10(12)13-9-5-2/h4-9H2,1-3H3
InChIKey: SGEJQUSYQTVSIU-UHFFFAOYSA-N

S-Propyl butylethylthiocarbamate Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 unreported 750mg/kg (750mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 37(8), Pg. 104, 1972.
mammal (species unspecified) LD50 unreported 713mg/kg (713mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(5), Pg. 29, 1980.
mouse LD50 oral 1652mg/kg (1652mg/kg)   Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 1138, 1966.
mouse LD50 unreported 750mg/kg (750mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 37(8), Pg. 104, 1972.
rabbit LD50 skin 4640mg/kg (4640mg/kg)   Pesticide Manual. Vol. 9, Pg. 652, 1991.
rat LD50 oral 921mg/kg (921mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C304, 1991.
rat LD50 skin 2gm/kg (2000mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 37(8), Pg. 104, 1972.
rat LD50 unreported 1125mg/kg (1125mg/kg)   Environmental Quality and Safety, Supplement. Vol. 3, Pg. 618, 1975.

S-Propyl butylethylthiocarbamate Safety Profile

Moderately toxic by ingestion. Causes violent vomiting when accompanied by alcohol ingestion. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits highly toxic fumes of SOx and NOx. See also CARBAMATES.
 

Hazard Codes of S-Propyl butylethylthiocarbamate  (CAS NO.1114-71-2): DangerousNHarmfulXn
Risk Statements: 22-51/53
R22:Harmful if swallowed. 
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 23-61
S23:Do not breathe vapour. 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.

S-Propyl butylethylthiocarbamate Specification

 S-Propyl butylethylthiocarbamate  ,its cas register number is 1114-71-2. It also can be called Tillam ; Carbamothioic acid, butylethyl-, S-propyl ester (9CI) ; Stauffer 2061 ; Propyl Ethyl-n-butylthiolcarbamate and Butyl(éthyl)thiocarbamate de S-propyle .

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