Basic information
- CAS
3710-30-3- Standard SMILES
C=CCCCCC=C- InChIKey
XWJBRBSPAODJER-UHFFFAOYSA-N- Molecular formula
- C8H14
- Average molar mass
- 110.2 g/mol
- Monoisotopic mass
- 110.10955045
Overview
1,7-octadiene is an alkadiene that is octane carrying two double bonds at positions 1 and 7.
Names & identifiers
- Preferred name
- 1,7-Octadiene
- IUPAC
- octa-1,7-diene
- English name
- 1,7-Octadiene
- Molecular formula
- C8H14
- Molecular weight
- 110.2
Names & synonyms
1,7-OCTADIENE3710-30-3alpha,omega-OctadieneN4H29T34J2NSC-82324DTXSID6063147CHEBI:183652RefChem:6714DTXCID8039293223-054-9Octa-1,7-diene.alpha.,.omega.-Octadiene
Show more names
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
Database identifiers
- CAS
3710-30-3- PubChem CID
- 19460
- DTXSID
DTXSID6063147- ChEBI
CHEBI:183652- UNII
- N4H29T34J2
- EC Number
- 223-054-9
- Nikkaji
- J21.020J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 52.4
Experimental & physicochemical properties
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
Physicochemical properties
- Melting point
Safety & regulation
GHS classification
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]
Hazard information
Regulatory Information
Chemical: 1,7-Octadiene
Regulation (EC) No 1935/2004 (amended)
Status: Active Update: 14-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5738
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
Explosive Limits and Potential
Chemistry & industry
Uses & manufacturing
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
Applications
Uses1,7-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.
Uses1,7-Octadiene has been used in a study to assess the structure and reaction rate in olefin ring-closing metathesis of a series of simple dienes. It has also been used in a study to investigate micropatterned surfaces prepared by plasma polymerization.
General Description1,7-Octadiene can serve as a crosslinker and source of ethylene for a variant of Mori′s conditions in CEYM-related reactions.
Upstream & downstream products
Upstream raw materials
Related reactions
27 records
Compound notes
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