Grundinformationen
- CAS
924-41-4- Standard-SMILES
C=CCC(O)C=C- InChIKey
SZYLTIUVWARXOO-UHFFFAOYSA-N- Summenformel
- C6H10O
- Durchschnittliche Molmasse
- 98,14 g/mol
- Monoisotopische Masse
- 98,07316494
Namen und Bezeichner
- Bevorzugter Name
- 1,5-Hexadien-3-ol
- IUPAC
- hexa-1,5-dien-3-ol
- Lokaler Name
- Hexa-1,5-dien-3-ol
- Englischer Name
- 1,5-HEXADIEN-3-OL
- Summenformel
- C6H10O
- Molmasse
- 98.14
Namen und Synonyme
1,5-Hexadien-3-ol924-41-41,5-Hexadiene-3-ol3-hydroxy-1,5-hexadieneEINECS 213-102-7UNII-C38864PH9KC38864PH9KAI3-28611NSC 102761NSC-102761DTXSID6022135RefChem:73511
Weitere Namen anzeigen
1,5-Hexadien-3-ol,95%1,5-Hexadien-3-ol 95%(3S)-3-hexa-1,5-dienol
DTXCID302135213-102-7SZYLTIUVWARXOO-UHFFFAOYSA-NHexa-1,5-dien-3-olMFCD00008662Hexa-1,5-diene-3-ol3-Hydroxy-1,5-hexadiene; 1,5-Hexadiene-3-ol; NSC 102761;Allyl vinyl carbinol
Datenbank-Bezeichner
- CAS
924-41-4- PubChem CID
- 79122
- DTXSID
DTXSID6022135- UNII
- C38864PH9K
- EC Number
- 213-102-7
- Nikkaji
- J112.235E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 66,6
Physikochemische Eigenschaften
- Schmelzpunkt
- 30.5 °C · 30.5°C (estimate)
- Siedepunkt
- 133 · 133-134 °C
- Dichte
- 0.878 g/mL · 0.878 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.448(lit.)
- Flammpunkt
- 85 °F · 85 °F
- storage temp.
- Refrigerator (+4°C)
- Löslichkeit
- Sparingly Soluble.
- Aggregatzustand
- Oil
- pka
- 14.29 · 14.29±0.20(Predicted)
- Farbe
- Colourless to Light Yellow
- BRN
- 1719962 · 1719962
- Stabilität
- Light Sensitive, Volatile
- InChI
- 1S/C6H10O/c1-3-5-6(7)4-2/h3-4,6-7H,1-2,5H2
- InChIKey
- SZYLTIUVWARXOO-UHFFFAOYSA-N
- SMILES
- OC(CC=C)C=C
- LogP
- 1.14 · 1.140 (est)
- CAS Datenbank
- 924 · 924-41-4(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 1987 3/PG 3
- risk_code
- 10
- safety_code
- 16-33-36/37/39
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Flam. Liq. 3
Chemie und Industrie
Anwendungen
Verwenden1,5-Hexadien-3-ol was used in the synthesis of (+)-obtusenyne.
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