7-Octyn-1-ol

HCID 70100CAS 871-91-0

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Grundinformationen

Standard-SMILES: C#CCCCCCCO
InChIKey: ATCNYMVVGBLQMQ-UHFFFAOYSA-N
Summenformel: C8H14O
Durchschnittliche Molmasse: 126,2 g/mol
Monoisotopische Masse: 126,10446507

Namen und Bezeichner

Bevorzugter Name: 7-Octyn-1-ol
IUPAC: oct-7-yn-1-ol
Englischer Name: 7-OCTYN-1-OL
Summenformel: C8H14O
Molmasse: 126.2

Namen und Synonyme

7-Octyn-1-ol871-91-0DTXSID6061234RefChem:106495DTXCID4048567844-109-9oct-7-yn-1-ol8-hydroxy-1-octyneMFCD016321377-octyne-1-ol7-Octyn-1-ol, AldrichCPRSCHEMBL130670

Weitere Namen anzeigen

7-Octyn-1-ol>Octane-7-yne-1-ol7-Octyn-1-ol - [O5669]7-OCTYN-1-OL, 97%7-OCTYN-1-OL, 97%7-OCTYN-1-OL, 97%

SCHEMBL130671SCHEMBL3181232AKOS005137929CS-W008554FO32098BP-29666DS-14712PD167318

Datenbank-Bezeichner

CAS: 871-91-0
PubChem CID: 70100
DTXSID: DTXSID6061234
EC Number: 844-109-9
Nikkaji: J421.540K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 5
Schwere Atome: 9
Formalladung: 0
Komplexität: 88

Physikochemische Eigenschaften

Schmelzpunkt: -39 °C · -39°C (estimate)
Siedepunkt: 110 · 110-112°C 15mm
Dichte: 0.889 · 0.889
Brechungsindex: 1.452 to · 1.4520 to 1.4560
Flammpunkt: 116 ℃ · 116℃
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Oil
pka: 15.17 · 15.17±0.10(Predicted)
Farbe: Colourless
InChI: InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h1,9H,3-8H2
InChIKey: ATCNYMVVGBLQMQ-UHFFFAOYSA-N
SMILES: C(O)CCCCCC#C
EPA chemische Informationen: 7 · 7-Octyn-1-ol (871-91-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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