Octylbenzol

Octylbenzene

HCID 16607CAS 2189-60-8

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Grundinformationen

Standard-SMILES: CCCCCCCCc1ccccc1
InChIKey: CDKDZKXSXLNROY-UHFFFAOYSA-N
Summenformel: C14H22
Durchschnittliche Molmasse: 190,32 g/mol
Monoisotopische Masse: 190,1721507

Namen und Bezeichner

Bevorzugter Name: Octylbenzene
IUPAC: octylbenzene
Lokaler Name: Octylbenzol
Englischer Name: N-OCTYLBENZENE
Summenformel: C14H22
Molmasse: 190.32

Namen und Synonyme

OCTYLBENZENEn-Octylbenzene1-Phenyloctane2189-60-8Benzene, octyl-PhenyloctaneOctane, 1-phenyl-DTXSID2062240P5EAX722SINSC-404115RefChem:167906DTXCID8036570

Weitere Namen anzeigen

octyl-benzenoctane,1-phenyl-n-Octylbenzene>

218-582-1MFCD00009564Octylbenzoloctyl benzeneoctyl-benzeneUNII-P5EAX722SIAKOS0090973211-Phenyloctane, purum, >=98.0% (GC)

Datenbank-Bezeichner

CAS: 2189-60-8
PubChem CID: 16607
DTXSID: DTXSID2062240
UNII: P5EAX722SI
EC Number: 218-582-1
Nikkaji: J114.106F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 6,6
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 7
Schwere Atome: 14
Formalladung: 0
Komplexität: 111

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesBoiling point

LogP6.5

Physikochemische Eigenschaften

Schmelzpunkt: -36 °C · -36 °C (lit.)
Siedepunkt: 261 · 261-263 °C (lit.)
Dichte: 0.858 g/mL · 0.858 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.484(lit.)
Flammpunkt: 226 °F · 226 °F
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Liquid
Farbe: Clear colorless
Wasserlöslichkeit: Immiscible with water.
BRN: 1906253 · 1906253
Henry's Law Constant: 1.8 · 1.8×10-4 mol/(m3Pa) at 25℃, Brockbank (2013)
Stabilität: Stable. Combustible. Incompatible with strong oxidizing agents.
InChI: 1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3
InChIKey: CDKDZKXSXLNROY-UHFFFAOYSA-N
SMILES: CCCCCCCCc1ccccc1
CAS Datenbank: 2189 · 2189-60-8(CAS DataBase Reference)
NIST chemische Informationen: n-Octylbenzene(2189-60-8)
EPA chemische Informationen: Benzene, octyl- (2189-60-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 100% (4 of 4) of all reports.

Not Classified

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Benzene, octyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, octyl- 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)

1-Phenyloctane: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29029090
safety_code: 23-24/25
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: <50,000 lb

General Manufacturing InformationBenzene, octyl-: ACTIVE

Anwendungen · 1 Eintrag

Verwendenn-octylbenzene is used as a solvent to study the self-assembly of derivatives of tetrathiafulvalene (TTF) on graphite and their visualization by scanning tunnelling microscopy (STM). It is also involved in the study the effects and substitution of these compounds. It is also used to prepare charge-transfer complexes with fluoranil and 1,3,5-trinitrobenzene.