Hex-5-en-1-ol
5-Hexen-1-ol
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Grundinformationen
- CAS
821-41-0- Standard-SMILES
C=CCCCCO- InChIKey
UIZVMOZAXAMASY-UHFFFAOYSA-N- Summenformel
- C6H12O
- Durchschnittliche Molmasse
- 100,16 g/mol
- Monoisotopische Masse
- 100,088815
Überblick
5-hexen-1-ol has been reported in Thymus vulgaris with data available.
Namen und Bezeichner
- Bevorzugter Name
- 5-Hexen-1-ol
- IUPAC
- hex-5-en-1-ol
- Lokaler Name
- Hex-5-en-1-ol
- Englischer Name
- 5-Hexen-1-ol
- Summenformel
- C6H12O
- Molmasse
- 100.16
Namen und Synonyme
5-Hexen-1-olHex-5-en-1-ol1-Hexen-6-ol5-HexenolUNII-57PD1RF6G757PD1RF6G7EINECS 212-477-46-hydroxy-1-hexeneAI3-347975-HEXENOL [FHFI]1-HEXENE-6-OLDTXSID2074950
Weitere Namen anzeigen
5-hexeen-1-ol5-Hexen-1-ol>5-Hexen-1-ol,99%5-HEXEN-1-OL 99%6-Hydroxyhex-1-ene5-Hexen-1-ol, 97+%
FEMA NO. 43515HexenolHex5en1olRefChem:102709DTXCID0048266InChI=1/C6H12O/c1-2-3-4-5-6-7/h2,7H,1,3-6HUIZVMOZAXAMASY-UHFFFAOYSA-N821-41-0
Datenbank-Bezeichner
- CAS
821-41-0- PubChem CID
- 69963
- DTXSID
DTXSID2074950- UNII
- 57PD1RF6G7
- EC Number
- 212-477-4
- Nikkaji
- J100.726B
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 41,4
Experimentelle und physikochemische Eigenschaften
PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesOptical coefficient
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.845-0.849
Solubility
Soluble in water and most fixed oils
Soluble (in ethanol)
Boiling Point154-155 °C
Refractive Index1.434-1.437
Physical Description
Clear colorless liquid; [Sigma-Aldrich MSDS]
Colourless liquid; Green aroma
Physikochemische Eigenschaften
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 26.3% (55 of 209) of reports.
Danger
H226 (36.4%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 209 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 30-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/23764
5-Hexen-1-ol: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See 3-Buten-2-ol.
Hazard Classes and CategoriesFlam. Liq. 3 (36.4%)
Sicherheitsdaten
- F
- 9
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 1987 3/PG 3
- hs_code
- 2905290000
- risk_code
- 10
- hazard_code
- F
Chemie und Industrie
Verwendung und Herstellung
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information5-Hexen-1-ol: ACTIVE
Anwendungen
Verwenden5-Hexen-1-ol is used in cyclization to a tetrahydropyran by phenylselenoetherification. It is also used as a building block in synthetic chemistry. Further, it is used to prepare 6-bromo-hex-1-ene by reaction with phosphorus tribromide.
Darstellung
synthetische5-hexen-1-ol may be prepared from 2-(chloromethyl)tetrahydropyran according to the literature procedure for the preparation of 4-penten-1-ol (Brooks, L. A.; Snyder, H. R. Org. Synth. Coll. Vol. III 1955, 698).
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