Grundinformationen
- Standard-SMILES
CCCCCCCCOc1ccc(C=O)cc1- InChIKey
KVOWZHASDIKNFK-UHFFFAOYSA-N- Summenformel
- C15H22O2
- Durchschnittliche Molmasse
- 234,33 g/mol
- Monoisotopische Masse
- 234,16197994
Namen und Bezeichner
- Bevorzugter Name
- p-(Octyloxy)benzaldehyde
- IUPAC
- 4-octoxybenzaldehyde
- Lokaler Name
- p-(Octyloxy)benzaldehyd
- Englischer Name
- 4-N-OCTYLOXYBENZALDEHYDE
- Summenformel
- C15H22O2
- Molmasse
- 234.33
Namen und Synonyme
4-(octyloxy)benzaldehyde24083-13-4Benzaldehyde, 4-(octyloxy)-p-(Octyloxy)benzaldehydeEINECS 246-012-1DTXSID50669544Octyloxybenzaldehyde4nOctyloxybenzaldehydeRefChem:857956Benzaldehyde, 4(octyloxy)DTXCID7037000246-012-1
Weitere Namen anzeigen
TIMTEC-BB SBB008008p-n-Octyloxybenzaldehyde4-(octyloxy)-benzaldehyd4-n-Octyloxybebzaldehyde4-Octyloxybenzaldehyde,98%
4-Octyloxybenzaldehyde4-n-Octyloxybenzaldehyde4-octoxybenzaldehydep-OctyloxybenzaldehydeMFCD00014136XQW85F9K7B4-octyloxy benzaldehydep-n-Octoxy benzaldehyde
Datenbank-Bezeichner
- CAS
24083-13-4- PubChem CID
- 90358
- DTXSID
DTXSID5066954- UNII
- XQW85F9K7B
- EC Number
- 246-012-1
- Nikkaji
- J30.710F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,9
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 183
Experimentelle und physikochemische Eigenschaften
Physical DescriptionClear colorless liquid; [Acros Organics MSDS]
Physikochemische Eigenschaften
- Siedepunkt
- 140 · 140-142 °C (0.1 mmHg)
- Dichte
- 0.98 · 0.98
- Brechungsindex
- 1.52 · 1.52-1.522
- Flammpunkt
- 140 · 140-142°C/0.1mm
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Yellow to Green
- Wichte
- 0.98 · 0.98
- BRN
- 1913284 · 1913284
- InChI
- InChI=1S/C15H22O2/c1-2-3-4-5-6-7-12-17-15-10-8-14(13-16)9-11-15/h8-11,13H,2-7,12H2,1H3
- InChIKey
- KVOWZHASDIKNFK-UHFFFAOYSA-N
- SMILES
- C(=O)C1=CC=C(OCCCCCCCC)C=C1
- CAS Datenbank
- 24083 · 24083-13-4(CAS DataBase Reference)
- EPA chemische Informationen
- 4 · Benzaldehyde, 4-(octyloxy)- (24083-13-4)
Sicherheit und Regulatorisches
Gefahrenhinweise
Regulatory InformationBenzaldehyde, 4-(octyloxy)-: 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.
Hazards SummaryAn irritant; [Acros Organics MSDS]
Regulatorische Informationen
Regulatory InformationBenzaldehyde, 4-(octyloxy)-: 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.
Sicherheitsdaten
- tsca
- TSCA listed
- hs_code
- 29130000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 37/39-26-24/25
- hazard_class
- IRRITANT
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzaldehyde, 4-(octyloxy)-: INACTIVE
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