1-Mercaptopropan-2-ol

1-Mercapto-2-propanol

HCID 102545CAS 1068-47-9

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Grundinformationen

Standard-SMILES: CC(O)CS
InChIKey: FETFXNFGOYOOSP-UHFFFAOYSA-N
Summenformel: C3H8OS
Durchschnittliche Molmasse: 92,16 g/mol
Monoisotopische Masse: 92,02958588

Namen und Bezeichner

Bevorzugter Name: 1-Mercapto-2-propanol
IUPAC: 1-sulfanylpropan-2-ol
Lokaler Name: 1-Mercaptopropan-2-ol
Englischer Name: 1-Mercapto-2-propanol
Summenformel: C3H8OS
Molmasse: 92.16

Namen und Synonyme

1-Mercapto-2-propanol1-Mercaptopropan-2-ol2-Propanol, 1-mercapto-EINECS 213-946-6DTXSID80893058RefChem:433420DTXCID901323002213-946-61-Sulfanylpropan-2-ol1068-47-9MFCD00004878mercapto-2-propanol

Weitere Namen anzeigen

3-Mercapto-2-propanol3-Mercaptopropane-2-ol2-HYDROXY-1-PROPANETHIOL1-Mercapto-2-propanol 95%1-MERCAPTO-2-PROPANOL 95+%

1-Mercapto-propan-2-olSCHEMBL154444SCHEMBL246003SCHEMBL3668996SCHEMBL6036973SCHEMBL84707641-Mercapto-2-propanol, 95%AKOS015912547

Datenbank-Bezeichner

CAS: 1068-47-9
PubChem CID: 102545
DTXSID: DTXSID80893058
EC Number: 213-946-6
Nikkaji: J60.723A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 21,2 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 5
Formalladung: 0
Komplexität: 22,9

Physikochemische Eigenschaften

Siedepunkt: 58 · 58-60 °C/17 mmHg (lit.)
Dichte: 1.048 g/mL · 1.048 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.486(lit.)
Flammpunkt: 145 °F · 145 °F
storage temp.: 2 · 2-8°C, stored under nitrogen
Aggregatzustand: liquid
InChI: 1S/C3H8OS/c1-3(4)2-5/h3-5H,2H2,1H3
InChIKey: FETFXNFGOYOOSP-UHFFFAOYSA-N
SMILES: CC(O)CS
LogP: 0.12 · 0.120 (est)

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 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information2-Propanol, 1-mercapto-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3334
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen

Verwenden1-Mercapto-2-propanol can be used as a self-assembled monolayer on the gold surfaces with potential use in electrochemical applications. It may also be used as a chiral agent which can be used in the chemical analysis of enantiomers.