Dibutylbutylphosphonat

Dibutyl butylphosphonate

HCID 6539CAS 78-46-6

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Grundinformationen

Standard-SMILES: CCCCOP(=O)(CCCC)OCCCC
InChIKey: JPGXOMADPRULAC-UHFFFAOYSA-N
Summenformel: C12H27O3P
Durchschnittliche Molmasse: 250,31 g/mol
Monoisotopische Masse: 250,16978135

Namen und Bezeichner

Bevorzugter Name: Dibutyl butylphosphonate
IUPAC: 1-[butoxy(butyl)phosphoryl]oxybutane
Lokaler Name: Dibutylbutylphosphonat
Englischer Name: Dibutyl butanephosphonate
Summenformel: C12H27O3P
Molmasse: 250.31

Namen und Synonyme

DIBUTYL BUTYLPHOSPHONATE78-46-6Dibutyl butanephosphonateDi-n-butyl n-butylphosphonatePhosphonic acid, butyl-, dibutyl esterdibutyl butyl phosphonateDTXSID6052536TC 445GO20BIE6OALBRITE DBBPNSC-2666Phosphonic acid, P-butyl-, dibutyl ester

Weitere Namen anzeigen

DBBPtc44nsc2666dibutylbutanephosphonateButylphosphonic acid dibutylDIBUTYL BUTYLPHOSPHONATE, 90+%

DTXCID3031109DBBP compounddibuyl butyl phosphonateRefChem:132930201-119-2Dibutylbutylphosphonate1-[butoxy(butyl)phosphoryl]oxybutaneDibutoxybutylphosphine oxide

Datenbank-Bezeichner

CAS: 78-46-6
PubChem CID: 6539
DTXSID: DTXSID6052536
UNII: 5GO20BIE6O
EC Number: 201-119-2
Nikkaji: J50.237E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 35,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 11
Schwere Atome: 16
Formalladung: 0
Komplexität: 181

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Organophosphates, Other

SpringerMaterials PropertiesChemical shift

OdorMILD

Density · 2 Einträge

0.948 @ 20 °C/4 °C

0.948 @ 20°C

Color/FormCOLORLESS LIQ

SolubilityINSOL IN WATER; MISCIBLE WITH MOST COMMON ORG SOLVENTS

Physikochemische Eigenschaften

Siedepunkt: 283 °C · 283 °C(lit.)
Dichte: 0.946 g/mL · 0.946 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.432(lit.)
Flammpunkt: 230 °F · >230 °F
Wasserlöslichkeit: 0.5 g/L · 0.5g/L(25 ºC)
BRN: 1777999 · 1777999
InChI: InChI=1S/C12H27O3P/c1-4-7-10-14-16(13,12-9-6-3)15-11-8-5-2/h4-12H2,1-3H3
InChIKey: JPGXOMADPRULAC-UHFFFAOYSA-N
SMILES: P(CCCC)(=O)(OCCCC)OCCCC
Oberflächenspannung: 27.4 mN/m · 27.4mN/m at 298.15K
CAS Datenbank: 78 · 78-46-6
NIST chemische Informationen: Phosphonic acid, butyl-, dibutyl ester(78-46-6)
EPA chemische Informationen: Phosphonic acid, butyl-, dibutyl ester (78-46-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 97.6% (40 of 41) of all reports.

Not Classified

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Phosphonic acid, butyl-, dibutyl ester

Phosphonic acid, butyl-, dibutyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Fire Potential · 2 Einträge

COMBUSTIBLE.

FIRE HAZARD: SLIGHT, WHEN EXPOSED TO HEAT OR FLAME.

Hazards SummaryMay cause irritation; [MSDSonline]

Hazard Classes and CategoriesNot Classified

Hazardous Reactivities and Incompatibilities...IT CAN REACT VIGOROUSLY WITH OXIDIZING MATERIALS.

Sicherheit und Schutzausrüstung

Fire Fighting ProceduresTO FIGHT FIRE: FOAM, CARBON DIOXIDE, DRY CHEMICAL...

Storage Conditions · 1 Eintrag

IN GENERAL, MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMP INTO TOXIC COMPONENTS...SHOULD BE STORED IN A COOL, WELL-VENTILATED PLACE, OUT OF DIRECT RAYS OF THE SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, & SHOULD BE PERIODICALLY INSPECTED... INCOMPATIBLE MATERIALS SHOULD BE ISOLATED FROM EACH OTHER.

Protective Action Criteria (PAC) · 3 Einträge

0.18 [mg/m3]

2.0 [mg/m3]

12 [mg/m3]

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
RTECS-Nr.: SZ7000000
Giftige Stoffe Daten: 78-46-6(Hazardous Substances Data)

Chemie und Industrie

Verwendung und Herstellung

Uses · 4 Einträge

Used as a solvent extraction agent for uranium and other heavy metals and as a gasoline additive, antifoam agent, plasticizer, textile conditioner, and antistatic agent; [HSDB]

Petroleum Production and Refining [Category: Industry]

TEXTILE CONDITIONER & ANTISTATIC AGENT

SOLVENT EXTRACTION AGENT FOR URANIUM & OTHER HEAVY METALS, GASOLINE ADDITIVE, ANTIFOAM AGENT, PLASTICIZER, TEXTILE CONDITIONER, ANTISTATIC AGENT

U.S. Exports · 2 Einträge

(1972) No Data

(1975) No Data

U.S. Imports · 2 Einträge

(1972) No Data

(1975) No Data

U.S. Production(1975) PROBABLY GREATER THAN 4.54X10+5 GRAMS

Methods of ManufacturingREACTION OF TRIBUTYLPHOSPHITE OR DIBUTYL SODIUM PHOSPHITE & 1-CHLOROBUTANE

General Manufacturing InformationPhosphonic acid, P-butyl-, dibutyl ester: ACTIVE

Anwendungen

VerwendenDibutyl Butylphosphonate is a reagent used in organic synthesis. It is used for uranium extractions as well as in the plasticizing industry.