Oct-3-in-1-ol

3-Octyn-1-ol

HCID 84694CAS 14916-80-4

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Grundinformationen

Standard-SMILES: CCCCC#CCCO
InChIKey: LRZGRGVRZSDRTK-UHFFFAOYSA-N
Summenformel: C8H14O
Durchschnittliche Molmasse: 126,2 g/mol
Monoisotopische Masse: 126,10446507

Namen und Bezeichner

Bevorzugter Name: 3-Octyn-1-ol
IUPAC: oct-3-yn-1-ol
Lokaler Name: Oct-3-in-1-ol
Englischer Name: 3-Octyn-1-ol
Summenformel: C8H14O
Molmasse: 126.2

Namen und Synonyme

3-Octyn-1-oloct-3-yn-1-olPJK55CL7Z5EINECS 238-986-1NSC 67251NSC-67251AI3-07044DTXSID8065828RefChem:95195DTXCID2034833LRZGRGVRZSDRTK-UHFFFAOYSA-N14916-80-4

Weitere Namen anzeigen

octynol1-octylne-3-ol3-Octyn-1-ol>3-Octyn-1-ol,98%3-OCTYN-1-OL 98%TIMTEC-BB SBB0091063-Octyn-1-ol CAS NO.14916-80-4

MFCD000395523-octyne-1-ol1-Hydroxyoctin-(3)UNII-PJK55CL7Z53-Octyn-1-ol,98%3-Octyn-1-ol, 97%SCHEMBL487757SCHEMBL5056447

Datenbank-Bezeichner

CAS: 14916-80-4
PubChem CID: 84694
DTXSID: DTXSID8065828
UNII: PJK55CL7Z5
EC Number: 238-986-1
Nikkaji: J126.452D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 9
Formalladung: 0
Komplexität: 104

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesDensity

Physikochemische Eigenschaften

Schmelzpunkt: -39 °C · -39°C (estimate)
Siedepunkt: 86 · 86-88 °C (9 mmHg)
Dichte: 0.88 g/mL · 0.880 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.4569(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · Storage temp. 2-8°C
pka: 14.34 · 14.34±0.10(Predicted)
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow to Light orange
Wasserlöslichkeit: It is soluble in water.
BRN: 1739950 · 1739950
InChI: 1S/C8H14O/c1-2-3-4-5-6-7-8-9/h9H,2-4,7-8H2,1H3
InChIKey: LRZGRGVRZSDRTK-UHFFFAOYSA-N
SMILES: CCCCC#CCCO
CAS Datenbank: 14916 · 14916-80-4(CAS DataBase Reference)
EPA chemische Informationen: 3 · 3-Octyn-1-ol (14916-80-4)

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
tsca: TSCA listed
hs_code: 29052900
RTECS-Nr.: 238-986-1
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information3-Octyn-1-ol: ACTIVE

Anwendungen · 1 Eintrag

Verwenden3-Octyn-1-ol, is used for a study of the reduction of acetylenic compounds, including this alcohol, to (E)-alkenes by alkali metals in liquid ammonia. Some other applications includes as corrosion inhibitor formulation, metal complex solution, solvent stabilizer, biodegradable chemical intermediate to make pharmaceuticals, chemical compound synthesis and reagents