11-Mercaptoundecanol

HCID 261824

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Grundinformationen

CAS: 73768-94-2
Standard-SMILES: OCCCCCCCCCCCS
InChIKey: ULGGZAVAARQJCS-UHFFFAOYSA-N
Summenformel: C11H24OS
Durchschnittliche Molmasse: 204,37 g/mol
Monoisotopische Masse: 204,15478639

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 11-Mercaptoundecanol
IUPAC: 11-sulfanylundecan-1-ol
Englischer Name: 11-Mercapto-1-undecanol
Summenformel: C11H24OS
Molmasse: 204.37

Namen und Synonyme

11-mercaptoundecanolMUO alcoholRefChem:43725511-Mercapto-1-undecanol73768-94-211-mercaptoundecan-1-ol11-sulfanylundecan-1-ol1-Undecanol, 11-mercapto-MFCD00239433C11H24OS11-Mercapto-1-undecanol, 97%NCIOpen2_006068

Weitere Namen anzeigen

11-HNANOTHINKS(R) ALCO11nanothinks tm alco110677NANOTHINKS ALCO11undecane-1,11-dithiol1-Mercapto-1-undecanol11-Mercaptoundecan-1-o

11-Sulfanyl-1-undecanol #SCHEMBL343853YCA76894AKOS015913280DS-11407C7635511-Hydroxy-1-undecanthiol11-Hydroxy-1-undecanethiol

Datenbank-Bezeichner

CAS: 73768-94-2
PubChem CID: 261824
DTXSID: DTXSID30294152
EC Number: 628-597-9
Nikkaji: J623.647B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,7
Polarare Oberfläche (TPSA): 21,2 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 10
Schwere Atome: 13
Formalladung: 0
Komplexität: 86,2

Physikochemische Eigenschaften

Schmelzpunkt: 33 · 33-37 °C (lit.)
Siedepunkt: 304 · 304.0±15.0 °C(Predicted)
Dichte: 0.79 g/mL · 0.790 g/mL at 25 °C
Brechungsindex: 20 · n20/D 1.359
Flammpunkt: 54 °F · 54 °F
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform, DMSO (Sparingly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 10.49 · 10.49±0.10(Predicted)
Farbe: White to Off-White
InChI: 1S/C11H24OS/c12-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2
InChIKey: ULGGZAVAARQJCS-UHFFFAOYSA-N
SMILES: OCCCCCCCCCCCS

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 1170 3/PG 2
risk_code: 36/37/38
hazard_code: F,Xi
safety_code: 7-16-36-26
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenOxidation to the corresponding disulfide by N-phenyltriazolinedione (Aldrich Catalog No. 280992) without the need for hydroxyl protection. This compound is used to produce hydrophilic SAMs. The resulting monolayers which are terminated with alcohols can be further functionalized with various groups even when attached to gold nanoparticles.