S,S,S-Tributyltrithiophosphat

DEF · TBTP · TRIBUFOS · DEF 6 · DEF(R) · DEGREEN · B-1,776 · Butifos

Identifikatoren & physikalische Daten

CAS No.	78-48-8
Summenformel	C12H27OPS3
Durchschnittliche Molmasse	314,5 g/mol
Monoisotopische Masse	314,09616511 g/mol
SMILES	CCCCSP(=O)(SCCCC)SCCCC
InChIKey	ZOKXUAHZSKEQSS-UHFFFAOYSA-N
PubChem CID	5125
ChEMBL	CHEMBL1901047
ChEBI	CHEBI:38737
EC No.	201-120-8
DTXSID	DTXSID1024174
Lokaler Name	S,S,S-Tributyltrithiophosphat

Chemische & physikalische Eigenschaften

XLogP	3,2
Polarare Oberfläche (TPSA)	93
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	12
Schwere Atome	17
Formalladung	0
Komplexität	179
Pestizide	Pesticide -> EPA IRISPlant Growth RegulatorsActive substance -> EU Pesticides database: Not approvedPesticides -> Organophosphate InsecticidesPesticide (DEF (Tribufos)) -> USDA PDB
LogP (Verteilungskoeffizient)	log Kow = 5.73.23
Geruch	Mercaptan-like odor
Dichte	1.057 at 20 °Cd204 1.0552
Color/Form	Colorless to pale yellow liquid
Löslichkeit	Soluble in aliphatic, aromatic, and chlorinated hydrocarbons and alcohols. Completely miscible in dichloromethane, n-hexane, 2-propanol, and toluene.In water, 2.3 mg/L at 20 °CChloroform (Slightly), Methanol (Slightly)
Siedepunkt	210 °C at 750 mm Hgbp0.3 150°bp4 166.5°
Decomposition	When heated to decomposition it emits toxic fumes of /phosphorous and sulfur oxides/.
Schmelzpunkt	Below -25 °C<-25°
Dampfdruck	0.0000053 [mmHg]5.3X10-6 mm Hg at 25 °C
Brechungsindex	Index of refraction: 1.532 at 25 °C/DnD20 1.534
Henry-Konstante	Henry's Law constant = 2.94X10-7 atm-cu m/molc sec at 25 °C3.4×101 mol/(m3Pa) at 25℃, Fendinger and Glotfelty (1990)
Lagerbedingungen	0-6°C
Aggregatzustand	Oil
Farbe	Colourless
CAS Datenbank	78-48-8
NIST chemische Informationen	S,s,s-tributyl phosphorotrithioate(78-48-8)
EPA chemische Informationen	Tribufos (78-48-8)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301 (80.7%): Toxic if swallowed [Danger Acute toxicity, oral]P262, P264, P270, P273, P280, P301+P316, P301+P317, P302+P352, P316, P321, P330, P361+P364, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 88 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H301: Toxic if swallowed [Danger Acute toxicity, oral]
Regulatorische Informationen	Hazard Traits - CarcinogenicityNeurotoxicityPhosphorotrithioic acid, S,S,S-tributyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphorotrithioic acid, S,S,S-tributyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Tribufos is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)2002/2076The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Weitere Sicherheitsinformationen	IMAP assessments - Phosphorotrithioic acid, S,S,S-tributyl ester: Human health tier I assessment
DOT-Kennzeichnung	Poison
Brandgefahren	Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Gesundheitsgefahren	Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Gefahrenübersicht	Tribufos is a colorless to pale yellow liquid with a skunk-like odorit is used only as a defoliant (a chemical that removes leaves) for cotton plants. Removing the leaves keeps certain pests that may be found on the leaves from damaging the cotton before it is picked.Delayed neuropathy has been reported in at least one agricultural workerCauses moderate skin and minimal eye irritation in rabbitsAnemia observed in females during one year feeding at nominal doses (NOEL for anemia in females = 0.4 mg/kg)

Anwendungen & Verwendung

Beschreibung

DEF is a cholinesterase-inhibiting organophosphorus pesticide compound used as a cotton defoliant that was registered in 1960.DEF is a colorless to pale-yellow transparent liquid with a skunk-like odor.It is completely miscible with n-hexane, dichloromethane, toluene, and 2-propanol and has an octanol–water partition coefficient of 3.31×105 at 25°C. DEF toxicity is primarily attributed to inhibition of various esterases, including acetylcholinesterase (AChE), butyrylcholinesterase (BuChE), neuropathic target esterase (NTE), and carboxylesterase, resulting in increased accumulation of endogenous acetylcholine (ACh) in cholinergic nerve terminals and related effector organs.

Verwenden

1,2,4-Tributylphosphorotrithioate is a defoliant for cotton.