Oxirane, 5-hexenyl-
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Basic information
- CAS
19600-63-6- Standard SMILES
C=CCCCCC1CO1- InChIKey
UKTHULMXFLCNAV-UHFFFAOYSA-N- Molecular formula
- C8H14O
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.10446507
Overview
2-(Hex-5-en-1-yl)oxirane has been reported in Artemisia capillaris with data available.
Names & identifiers
- Preferred name
- Oxirane, 5-hexenyl-
- IUPAC
- 2-hex-5-enyloxirane
- English name
- 1,2-EPOXY-7-OCTENE
- Molecular formula
- C8H14O
- Molecular weight
- 126.2
Names & synonyms
5-HexenyloxiraneOxirane, 5-hexenyl-7,8-EpoxyocteneCCRIS 3749EINECS 243-178-7BRN 13052905-17-01-00231 (Beilstein Handbook Reference)RefChem:857521243-178-71,2-Epoxy-7-octene19600-63-62-hex-5-enyloxirane
Show more names
5-hexenyl-oxiran1,2-Epoxy-7-octane1,7-OCTADIENMONOXID6-Oxiranyl-1-hexene2-(5-Hexenyl)oxirane
2-(hex-5-en-1-yl)oxiraneMFCD000051565-hexenyl-oxirane2-hex-5-en-yloxirane2-(5-Hexenyl)oxirane #1-Octene, 7,8-epoxy-SCHEMBL1328257,8-EPOXY-1-OCTENE
Database identifiers
- CAS
19600-63-6- PubChem CID
- 29678
- DTXSID
DTXSID30941376- EC Number
- 243-178-7
- Nikkaji
- J225.233C
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 88.6
Physicochemical properties
- Boiling point
- 64 · 64-65°C 18mm
- Density
- 0.85 · 0.85
- refractive index
- 1.4345 · 1.4345-1.4365
- Flash point
- 38 °C · 38 °C
- storage temp.
- 0 · 0-6°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Liquid
- Specific Gravity
- 0.85 · 0.85
- color
- Clear colorless
- Water Solubility
- Not miscible in water.
- BRN
- 1305290 · 1305290
- CAS DataBase Reference
- 19600 · 19600-63-6(CAS DataBase Reference)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Oxirane, 5-hexenyl-
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- rtecs
- RR0502000
- ridadr
- 1993
- hs_code
- 29109000
- risk_code
- 41-37/38-19-10-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26-18-36/37/39-16
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226-H315-H319-H335
- Precautionary statements
- P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses1,2-Epoxy-7-octene is used as an organic chemical synthesis intermediate.
Related reactions
2 records
Compound notes
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