Hex-5-en-3-ol

HCID 136489

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Grundinformationen

CAS: 688-99-3
Standard-SMILES: C=CCC(O)CC
InChIKey: UOGFCIYBLKSQHL-UHFFFAOYSA-N
Summenformel: C6H12O
Durchschnittliche Molmasse: 100,16 g/mol
Monoisotopische Masse: 100,088815

Namen und Bezeichner

Bevorzugter Name: Hex-5-en-3-ol
IUPAC: hex-5-en-3-ol
Englischer Name: 5-HEXEN-3-OL
Summenformel: C6H12O
Molmasse: 100.16

Namen und Synonyme

hex-5-en-3-ol5-Hexen-3-olDTXSID20988513RefChem:784377DTXCID20968890822-707-0688-99-35-?Hexen-?3-?ol3-Hydroxy-5-hexene; 4-Hydroxy-1-hexene3-hydroxy-5-hexene1-hexen-4-olSCHEMBL314733

Weitere Namen anzeigen

NISTC6889931-HEXENE-4-OL5-HEXEN-3-OL 98%

SCHEMBL314735SCHEMBL505745SCHEMBL709351SCHEMBL5080800SCHEMBL5335169SCHEMBL7791824SCHEMBL28241383AKOS010638158

Datenbank-Bezeichner

CAS: 688-99-3
PubChem CID: 136489
DTXSID: DTXSID20988513
EC Number: 822-707-0
Nikkaji: J371.398I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 7
Formalladung: 0
Komplexität: 50

Physikochemische Eigenschaften

Siedepunkt: 130 °C · 130 °C
Dichte: 0.8464 g/cm3 · 0.8464 g/cm3
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
pka: 15.1 · 15.10±0.20(Predicted)
Aggregatzustand: Oil
Farbe: Colourless
Stabilität: Air Sensitive
LogP: 1.542 · 1.542 (est)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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.