Tetradecan-1-thiol

1-Tetradecanethiol

HCID 64677

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 2079-95-0
Standard-SMILES: CCCCCCCCCCCCCCS
InChIKey: GEKDEMKPCKTKEC-UHFFFAOYSA-N
Summenformel: C14H30S
Durchschnittliche Molmasse: 230,46 g/mol
Monoisotopische Masse: 230,20682196

Namen und Bezeichner

Bevorzugter Name: 1-Tetradecanethiol
IUPAC: tetradecane-1-thiol
Lokaler Name: Tetradecan-1-thiol
Englischer Name: 1-Tetradecanethiol
Summenformel: C14H30S
Molmasse: 230.45

Namen und Synonyme

1-Tetradecanethiol2079-95-0Myristyl mercaptanTetradecyl mercaptann-tetradecylmercaptanTetradecanethiolAPY3P7S1XMUNII-APY3P7S1XMEINECS 218-209-2NSC 57865Tetradecanethiol-(1)AI3-15913

Weitere Namen anzeigen

TetradcylthiolFourteen thiolsTETRADECANE THIOLn-tetradecanethiolTetradecan-1-thioletradecane-1-thiolTETRADECYLMERCAPTANtetradecane-1-thiol

NSC-57865DTXSID70621661MercaptotetradecanenTetradecyl mercaptanRefChem:77255DTXCID1036381218-209-2GEKDEMKPCKTKEC-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 2079-95-0
PubChem CID: 64677
DTXSID: DTXSID7062166
UNII: APY3P7S1XM
EC Number: 218-209-2
Nikkaji: J97.159F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 7,2
Polarare Oberfläche (TPSA): 1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 12
Schwere Atome: 15
Formalladung: 0
Komplexität: 102

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Thiols

SpringerMaterials PropertiesBoiling point

Physical DescriptionLiquid; mp = 6.1-6.5 deg C; [CHEMINFO] Clear nearly colorless liquid; [MSDSonline]

Physikochemische Eigenschaften

Schmelzpunkt: 6 · 6-7°C
Siedepunkt: 176 · 176-180°C 22mm
Dichte: 0.846 g/mL · 0.846 g/mL at 20 °C(lit.)
Brechungsindex: 20 · n20/D 1.461
Flammpunkt: 176 · 176-180°C/22mm
pka: 10.49 · 10.49±0.10(Predicted)
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
BRN: 1742653 · 1742653
Henry's Law Constant: 8.5 · 8.5×10-4 mol/(m3Pa) at 25℃, Yaws et al. (2003)
InChI: InChI=1S/C14H30S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3
InChIKey: GEKDEMKPCKTKEC-UHFFFAOYSA-N
SMILES: C(S)CCCCCCCCCCCCC
LogP: 7.555 · 7.555 (est)
CAS Datenbank: 2079 · 2079-95-0(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1-Tetradecanethiol(2079-95-0)
EPA chemische Informationen: 1 · 1-Tetradecanethiol (2079-95-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryAn irritant; May cause serious eye injury; May cause skin sensitization; [MSDSonline] See THIOLS.

Hazard Classes and CategoriesSkin Sens. 1 (97.6%)

Toxikologische Informationen

Adverse EffectsOther Poison - Chemical Asphyxiant

Sicherheitsdaten

F: 9-13-23
wgk: 3
tsca: TSCA listed
ridadr: UN 3334
hs_code: 29309090
risk_code: 41-43
hazard_code: Xi
safety_code: 26-36/37/39
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Dam. 1Skin Sens. 1

Chemie und Industrie

Verwendung und Herstellung

UsesUsed as organic intermediate in synthetic rubber processing; [CHEMINFO]

General Manufacturing Information1-Tetradecanethiol: ACTIVE

Anwendungen

VerwendenTDT is used as a self-assembled monolayer (SAM) on gold nanoparticle(AuNP) based electrodes for bi-enzymer glucose biosensors. The surface modification was done by soaking the electrodes in TDT solution.