Product Name

  • Name

    1,2,4-Tributylphosphorotrithioate

  • EINECS 201-120-8
  • CAS No. 78-48-8
  • Article Data10
  • CAS DataBase
  • Density 1.074 g/cm3
  • Solubility
  • Melting Point Below -25oC
  • Formula C12H27 O P S3
  • Boiling Point 407.8 °C at 760 mmHg
  • Molecular Weight 314.518
  • Flash Point 200.4 °C
  • Transport Information UN 2811
  • Appearance
  • Safety A poison by ingestion, skin contact, and intraperitoneal routes. Experimental reproductive effects. Animal experiments show an anti-cholinesterase effect. When heated to decomposition it emits toxic fumes of POx and SOx. See also PARATHION, PHOSPHATES, ESTERS, and SULFATES.
  • Risk Codes R24/25   
  • Molecular Structure Molecular Structure of 78-48-8 (1,2,4-Tributylphosphorotrithioate)
  • Hazard Symbols
  • Synonyms Butylphosphorotrithioate (6CI); B 1,776; Butiphos; Butyl phosphorotrithioate((BuS)3PO); Chemagro B 1776; DEF; DEF 6; DEF Defoliant; De-Green; Fos-Fall A;Fosfall; S,S,S-Tributyl phosphorotrithioate; S,S,S-Tributyl trithiophosphate;TBPT; TBTP; Tribufos
  • PSA 102.78000
  • LogP 6.69440

Synthetic route

1-butanethiol
109-79-5

1-butanethiol

S,S,S-tributylphosphorotrithioate
78-48-8

S,S,S-tributylphosphorotrithioate

Conditions
ConditionsYield
Stage #1: n-butanethiol With phosphorus; potassium hydroxide In dimethyl sulfoxide; toluene at 20℃; for 7h; Schlenk technique;
Stage #2: With dihydrogen peroxide In dimethyl sulfoxide; toluene at 20℃; for 0.5h; Schlenk technique;		83%
(i) phosphorus, nBuSNa, CCl4, (ii) aq. H2O2, AcOH; Multistep reaction;
S,S,S-tributylphosphorotrithioate
78-48-8

S,S,S-tributylphosphorotrithioate

toluene-4-sulfonic acid
104-15-4

toluene-4-sulfonic acid

4-Methylbenzolthiosulfonsaeure-S-butylester
28519-31-5

4-Methylbenzolthiosulfonsaeure-S-butylester

Conditions
ConditionsYield
In benzene for 15h; Heating;21%
S,S,S-tributylphosphorotrithioate
78-48-8

S,S,S-tributylphosphorotrithioate

1-butanethiol
109-79-5

1-butanethiol

Conditions
ConditionsYield
With methanol; 5,5'-dithiobis-(2-nitrobenzoic acid); Sphingobium sp. TCM1 phosphotriesterase; manganese(ll) chloride In aq. buffer at 30℃; pH=8; Kinetics; Enzymatic reaction;

1,2,4-Tributylphosphorotrithioate Chemical Properties

Molecular Formula: C12H27OPS3
Molar mass: 314.5109 g/mol
EINECS: 201-120-8
Density: 1.074 g/cm3
Flash Point: 200.4 °C
Index of Refraction: 1.516
Boiling Point: 407.8 °C at 760 mmHg
Vapour Pressure: 1.73E-06 mmHg at 25°C
Storage temp: 0-6°C
Product categories of Butyl phosphorotrithioate (78-48-8): Method Specific;Oeko-Tex Standard 100;Pesticides;Plant growth regulators
Structure of Butyl phosphorotrithioate (78-48-8):
         
XLogP3-AA: 3.2
H-Bond Donor: 0
H-Bond Acceptor: 1
Systematic Name: 1-Bis(butylsulfanyl)phosphorylsulfanylbutane 
SMILES: O=P(SCCCC)(SCCCC)SCCCC 
InChI: InChI=1/C12H27OPS3/c1-4-7-10-15-14(13,16-11-8-5-2)17-12-9-6-3/h4-12H2,1-3H3 
InChIKey: ZOKXUAHZSKEQSS-UHFFFAOYAN 
Std. InChI: InChI=1S/C12H27OPS3/c1-4-7-10-15-14(13,16-11-8-5-2)17-12-9-6-3/h4-12H2,1-3H3 
Std. InChIKey: ZOKXUAHZSKEQSS-UHFFFAOYSA-N

1,2,4-Tributylphosphorotrithioate Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LDLo skin 1gm/kg (1000mg/kg) SPINAL CORD: DEMYELINATION
BEHAVIORAL: ATAXIA		 Toxicology and Applied Pharmacology. Vol. 48, Pg. A195, 1979.
guinea pig LD50 intraperitoneal 150mg/kg (150mg/kg) BEHAVIORAL: REGIDITY
BEHAVIORAL: IRRITABILITY
GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS		 AMA Archives of Industrial Health. Vol. 20, Pg. 161, 1959.
guinea pig LD50 oral 140mg/kg (140mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 44, 1982.
mammal (species unspecified) LD50 unreported 170mg/kg (170mg/kg)   "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971Vol. -, Pg. 376, 1971.
mouse LCLo inhalation 3804mg/m3/1H (3804mg/m3)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 199, 1969.
mouse LD50 intraperitoneal 285mg/kg (285mg/kg)   Biochemical Pharmacology. Vol. 12, Pg. 73, 1963.
mouse LD50 oral 77mg/kg (77mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1188, 1986.
rabbit LD50 oral 242mg/kg (242mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
KIDNEY, URETER, AND BLADDER: INCONTINENCE		 Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 11(4), Pg. 11, 1967.
rabbit LD50 skin 97mg/kg (97mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 44, 1982.
rat LD50 intraperitoneal 210mg/kg (210mg/kg) BEHAVIORAL: REGIDITY
BEHAVIORAL: IRRITABILITY
GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS		 AMA Archives of Industrial Health. Vol. 20, Pg. 161, 1959.
rat LD50 oral 150mg/kg (150mg/kg)   Toxicology and Applied Pharmacology. Vol. 14, Pg. 515, 1969.
rat LD50 skin 168mg/kg (168mg/kg)   World Review of Pest Control. Vol. 9, Pg. 119, 1970.

1,2,4-Tributylphosphorotrithioate Consensus Reports

Reported in EPA TSCA Inventory.

1,2,4-Tributylphosphorotrithioate Safety Profile

A poison by ingestion, skin contact, and intraperitoneal routes. Experimental reproductive effects. Animal experiments show an anti-cholinesterase effect. When heated to decomposition it emits toxic fumes of POx and SOx. See also PARATHION, PHOSPHATES, ESTERS, and SULFATES.
 

Hazard Codes: T
Risk Statements:
24:  Toxic in contact with skin
25:  Toxic if swallowed 
Safety Statements:
36:  Wear suitable protective clothing 
37:  Wear suitable gloves
45:  In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)

1,2,4-Tributylphosphorotrithioate Specification

 Butyl phosphorotrithioate (78-48-8) also can be called Butyphos ; S,S,S-Tributyltrithiophosphat ; Phosphorotrithioic acid, S,S,S-tributyl ester ; Merphos oxide and Butifos .

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