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CAS No.: | 1114-71-2 |
---|---|
Name: | PEBULATE |
Article Data: | 13 |
Molecular Structure: | |
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 SOx and NOx. See also CARBAMATES. |
PSA: | 45.61000 |
LogP: | 3.37160 |
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
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. |
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): NXn
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 ,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 .