Trioctylphosphinoxid

Trioctylphosphine oxide

HCID 65577CAS 78-50-2

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Grundinformationen

Standard-SMILES: CCCCCCCCP(=O)(CCCCCCCC)CCCCCCCC
InChIKey: ZMBHCYHQLYEYDV-UHFFFAOYSA-N
Summenformel: C24H51OP
Durchschnittliche Molmasse: 386,6 g/mol
Monoisotopische Masse: 386,36775288

Namen und Bezeichner

Bevorzugter Name: Trioctylphosphine oxide
IUPAC: 1-dioctylphosphoryloctane
Lokaler Name: Trioctylphosphinoxid
Englischer Name: Trioctylphosphine oxide
Summenformel: C24H51OP
Molmasse: 386.63

Namen und Synonyme

Trioctylphosphine oxide78-50-2Tri-n-octylphosphine oxideTOPOPhosphine oxide, trioctyl-Cyanex 921Hostarex PX 324Trioctyl phosphine oxideEXU8U2AM5ADTXSID1052537NSC-41937RefChem:899962

Weitere Namen anzeigen

TOPO(R)DKSI031(Oct)3PODKFELEX0081hostarexpx324HISHICOLIN PO-8trioctylphosphinoxide

DTXCID2031110201-121-31-dioctylphosphoryloctaneMFCD000020831-(dioctylphosphoryl)octaneEINECS 201-121-3EC 201-121-3C24H51OP

Datenbank-Bezeichner

CAS: 78-50-2
PubChem CID: 65577
DTXSID: DTXSID1052537
UNII: EXU8U2AM5A
EC Number: 201-121-3
Nikkaji: J57.794D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 9,6
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 21
Schwere Atome: 26
Formalladung: 0
Komplexität: 266

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Phosphorus Compounds

Melting Point52 °C

Physical DescriptionWhite solid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 50 · 50-52 °C(lit.)
Siedepunkt: 201 · 201-202 °C2 mm Hg(lit.)
Dichte: 0 · 0,88 g/cm3
Dampfdruck: 0.004 Pa · 0.004Pa at 50℃
Flammpunkt: 230 °F · >230 °F
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: 1 g/l · <1g/l
Aggregatzustand: Crystalline Powder, Crystals or Flakes
Farbe: White to slightly yellow
Wasserlöslichkeit: Insoluble
BRN: 1796648 · 1796648
Henry's Law Constant: 8.2 · 8.2×10-4 mol/(m3Pa) at 25℃, Zhang et al. (2010)
Stabilität: Stable. Incompatible with strong oxidizing agents.
InChI: 1S/C24H51OP/c1-4-7-10-13-16-19-22-26(25,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3
InChIKey: ZMBHCYHQLYEYDV-UHFFFAOYSA-N
SMILES: CCCCCCCCP(=O)(CCCCCCCC)CCCCCCCC
LogP: 9.54 · 9.54
CAS Datenbank: 78 · 78-50-2(CAS DataBase Reference)
EPA chemische Informationen: Phosphine oxide, trioctyl- (78-50-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H315 (97.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 155 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Phosphine oxide, trioctyl-

Status: Active Update: 01-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/16452

Phosphine oxide, trioctyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 Eintrag

A moderate skin and severe eye irritant; Causes changes in liver and kidney weights and other musculoskeletal changes in 30-day intermittent dermal studies of rats; [RTECS] An irritant that may cause serious eye injury; [Sigma-Aldrich MSDS] See Phosphine oxide. See Triphenylphosphine oxide.

Hazard Classes and CategoriesSkin Irrit. 2 (97.4%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

1 [mg/m3]

11 [mg/m3]

68 [mg/m3]

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
ridadr: 3261
hs_code: 32019090
RTECS-Nr.: SZ1662500
risk_code: 38-41-50/53-34
Toxizität: LD50 orally in Rabbit: > 10000 mg/kg LD50 dermal Rat 2830 mg/kg
hazard_code: Xi,Hazard
safety_code: 26-36/39-39-61-60-45-36/37/39
packing_group: II
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Aquatic Chronic 3Eye Dam. 1Skin Irrit. 2
Selbstentzündungstemperatur: 270 °C

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPhosphine oxide, trioctyl-: ACTIVE

Anwendungen · 1 Eintrag

VerwendenTrioctylphosphine oxide (TOPO) is most commonly used as the solvent due to its high boiling point and chemical stability, and its ability to prevent particle aggregation via coordination to the NP surface. trioctylphosphine oxide is a frequently used surfactant, starts to decompose at around 425℃.