CAS No.1114-71-2,PEBULATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1114-71-2
Name:	PEBULATE
Article Data:	13

Formula:	C10H21 N O S
Molecular Weight:	203.349
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
EINECS:	214-215-4
Density:	0.959 g/cm³
Melting Point:	<25℃
Boiling Point:	272.8 °C at 760 mmHg
Flash Point:	118.8 °C
Solubility:	92mg/L(21 oC)
Hazard Symbols:	Toxic by ingestion.
Risk Codes:	22-51/53
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 SO_x and NO_x. See also CARBAMATES.
PSA:	45.61000
LogP:	3.37160

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Chemistry

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

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	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.

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 SO_x and NO_x. See also CARBAMATES.

Hazard Codes of S-Propyl butylethylthiocarbamate (CAS NO.1114-71-2): Dangerous N Harmful Xn
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.

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 .