Octa-1,7-dien
1,7-Octadiene
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Grundinformationen
- CAS
3710-30-3- Standard-SMILES
C=CCCCCC=C- InChIKey
XWJBRBSPAODJER-UHFFFAOYSA-N- Summenformel
- C8H14
- Durchschnittliche Molmasse
- 110,2 g/mol
- Monoisotopische Masse
- 110,10955045
Überblick
1,7-octadiene is an alkadiene that is octane carrying two double bonds at positions 1 and 7.
Namen und Bezeichner
- Bevorzugter Name
- 1,7-Octadiene
- IUPAC
- octa-1,7-diene
- Lokaler Name
- Octa-1,7-dien
- Englischer Name
- 1,7-Octadiene
- Summenformel
- C8H14
- Molmasse
- 110.2
Namen und Synonyme
1,7-OCTADIENE3710-30-3alpha,omega-OctadieneN4H29T34J2NSC-82324DTXSID6063147CHEBI:183652RefChem:6714DTXCID8039293223-054-9Octa-1,7-diene.alpha.,.omega.-Octadiene
Weitere Namen anzeigen
Octadiene-1,7α,ω-octadieneOcta-1,7-dien1,7-Octadiene>1,7-Octadiene 98%1,7-Octadiene,97%1,7-OCTADIENE 98+%
MFCD0000866826374-83-4EINECS 223-054-9NSC 82324BRN 0605288UNII-N4H29T34J2AI3-2800017-Octadiene
Datenbank-Bezeichner
- CAS
3710-30-3- PubChem CID
- 19460
- DTXSID
DTXSID6063147- ChEBI
CHEBI:183652- UNII
- N4H29T34J2
- EC Number
- 223-054-9
- Nikkaji
- J21.020J
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 3,5
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 52,4
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Aliphatics, Unsaturated
SpringerMaterials PropertiesBoiling point
SolubilitySolubility in water: none
Flash Point9 °C
Boiling Point114-121 °C
Melting Point-70 °C
Vapor Pressure15.0 [mmHg]
Physical Description
Colorless liquid; [ICSC] Colorless liquid with a strong odor; [Alfa Aesar MSDS]
COLOURLESS LIQUID.
Autoignition Temperature230 °C
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
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P273, P280, P301+P316, P303+P361+P353, P331, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 116 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
Gefahrenhinweise
Regulatory Information
Chemical: 1,7-Octadiene
Regulation (EC) No 1935/2004 (amended)
REACH registered substance: Octa-1,7-diene (EC: 223-054-9)
1,7-Octadiene: Does not have an individual approval but may be used under an appropriate group standard
Fire HazardsHighly flammable. Vapour/air mixtures are explosive.
Hazards Summary
Dermal LD50 (rabbit) = 14,100 uL/kg; Oral LD50 (rat) = 19,700 uL/kg; [RTECS] A skin, eye, and respiratory tract irritant; [ICSC] A mild skin irritant; Harmful by ingestion (may cause lung damage by aspiration); [Alfa Aesar MSDS] Octadiene (UN2309) has warning of explosive polymerization. [ERG 2016] See 1,4-Hexadiene.
UN ClassificationUN Hazard Class: 3; UN Pack Group: II
Chemical DangersReacts with oxidants.
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flammable liquids - Category 2
Chemie und Industrie
Verwendung und Herstellung
UsesUsed in organic synthesis; [ExPub: EPA - TSCATS] Used as a monomer, polymer crosslinking agent, intermediate, and in scientific research and development; [ExPub: ECHA REACH Registrations]
General Manufacturing Information1,7-Octadiene: ACTIVE
Anwendungen
Verwenden1,7-Octadiene is used in organic synthesis. It is also used to study and assess the structure and reaction rate in olefin ring-closing metathesis of a series of simple dienes. Further, it is used in a study to investigate micropatterned surfaces prepared by plasma polymerization. It acts as a crosslinker as well as a source of ethylene in cross-enyne metathesis (CEYM)-related reactions.
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