16-Mercaptohexadecanoic acid

HCID 3522585CAS 69839-68-5

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Grundinformationen

Standard-SMILES: O=C(O)CCCCCCCCCCCCCCCS
InChIKey: INOAASCWQMFJQA-UHFFFAOYSA-N
Summenformel: C16H32O2S
Durchschnittliche Molmasse: 288,5 g/mol
Monoisotopische Masse: 288,21230143

Namen und Bezeichner

Bevorzugter Name: 16-Mercaptohexadecanoic acid
IUPAC: 16-sulfanylhexadecanoic acid
Englischer Name: 16-Mercaptohexadecanoic acid
Summenformel: C16H32O2S
Molmasse: 288.49

Namen und Synonyme

16-Mercaptohexadecanoic acidDTXSID0039328716-MHA cpdRefChem:79027DTXCID9034414769839-68-516-sulfanylhexadecanoic acidMHDAMFCD00674018Hexadecanoic acid, 16-mercapto-C16H32O2SSCHEMBL49347

Weitere Namen anzeigen

NANOTHINKS ACID16NANOTHINKS(R) ACID16nanothinks tm acid1616-sulfanylhexadecanoicaci16-Mercaptohexadecanoic acid 90%

16-Mercaptohexadecanoic acid, 90%16-Mercaptohexadecanoic acid, 99%D7098816-Mercaptopalmitic acidNanoThinks™ ACID16AMY3796216-MERCAPTOHEXADECANOICACIDAKOS015856333

Datenbank-Bezeichner

CAS: 69839-68-5
PubChem CID: 3522585
DTXSID: DTXSID00393287
EC Number: 628-111-5
Nikkaji: J534.969I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,7
Polarare Oberfläche (TPSA): 38,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 15
Schwere Atome: 19
Formalladung: 0
Komplexität: 195

Physikochemische Eigenschaften

Schmelzpunkt: 65 · 65-69 °C
Dichte: 0.787 g/mL · 0.787 g/mL at 25 °C
Flammpunkt: 52 °F · 52 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: solid
InChI: 1S/C16H32O2S/c17-16(18)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19/h19H,1-15H2,(H,17,18)
InChIKey: INOAASCWQMFJQA-UHFFFAOYSA-N
SMILES: OC(=O)CCCCCCCCCCCCCCCS

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 97.4% (38 of 39) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 38 of 39 companies (only 2.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 38 of 39 reports by companies.；There is 1 notification provided by 1 of 39 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesNot Classified

Sicherheitsdaten

wgk: 2
ridadr: UN 1170 3/PG 2
risk_code: 11
hazard_code: F
safety_code: 7-16
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenFormation of interchain carboxylic anhydrides on self-assembled monolayers with Fluoro N,N,N′,N′-tetramethylforamidinium hexafluorophosphate.1 This compound is used in self-assembly to produce hydrophilic SAMs. The resulting monolayers which are terminated with carboxylic acids can be further functionalized2 with various amines and alcohols to introduce more complex end groups or multiple layers.3