Hexadecane-D34
Grundinformationen
- CAS
15716-08-2- Standard-SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]- InChIKey
DCAYPVUWAIABOU-BMDGSOBCSA-N- Summenformel
- C16H34
- Durchschnittliche Molmasse
- 260,65 g/mol
- Monoisotopische Masse
- 260,47946045
Namen und Bezeichner
- Bevorzugter Name
- Hexadecane-D34
- IUPAC
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-tetratriacontadeuteriohexadecane
- Englischer Name
- n-Hexadecane-d34
- Summenformel
- C16D34
- Molmasse
- 260.65
Namen und Synonyme
Hexadecane-d3415716-08-2PerdeuterohexadecaneAPT85922XFUNII-APT85922XFDTXSID40486642Hexadecane-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-D34RefChem:145954DTXCID40437452N-HEXADECANE-D34MFCD001448931,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-tetratriacontadeuteriohexadecane
Weitere Namen anzeigen
Hexadecane-d????-Hexadecane (D??, 98%)n-Hexadecane-d34, 99 atoM%DHexadecane-D34 >99.0 Atom % Dn-Hexadecane-d34 in isooctane
n-Hexadecane D34(2H34)Hexadecaned34-hexadecaneHexadecane-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-d34; Hexadecane-d34 (8CI,9CI); Perdeuterohexadecane(?H??)hexadecane(~2~H_34_)HexadecaneSCHEMBL12473013Hexadecane-d34, 98 atom % D
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 8,3
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 13
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 92,6
Physikochemische Eigenschaften
- Schmelzpunkt
- 18 °C · 18 °C(lit.)
- Siedepunkt
- 287 °C · 287 °C(lit.)
- Dichte
- 0.887 g/mL · 0.887 g/mL at 25 °C
- Brechungsindex
- 20 · n20/D 1.434(lit.)
- Flammpunkt
- 135 °C · 135 °C
- Löslichkeit
- Chloroform (Slightly)
- Aggregatzustand
- Solid
- Farbe
- White
- InChI
- InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2
- InChIKey
- DCAYPVUWAIABOU-BMDGSOBCSA-N
- EPA chemische Informationen
- 34 · n-Hexadecane-d34 (15716-08-2)
- CAS Number Unlabeled
- 544 · 544-76-3
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (97.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (97.4%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 28459000
- risk_code
- 38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Asp. Tox. 1
Chemie und Industrie
Anwendungen
Beschreibungn-Hexadecane D34 Hexadecane, a deuterium labelled form of hexadecane, is widely used in analytical chemistry. It is used as an internal standard for mass spectrometry (MS) and nuclear magnetic resonance (NMR) spectroscopy. This is particularly important for the identification and quantification of the parent compound hexadecane in heterogeneous or complex mixtures, as the deuterated analogue serves as a precise reference point.
Verwendenn-Hexadecane-d34 is the labeled compound of Hexadecane(H293630). Hexadecane has been used to prepare emulsions in water. It is also used as a substrate for the bacterial production of biosurfactants.
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