5-Methylhept-2-ene
Basic information
- CAS
22487-87-2- Standard SMILES
CC=CCC(C)CC- InChIKey
VIHUHUGDEZCPDK-UHFFFAOYSA-N- Molecular formula
- C8H16
- Average molar mass
- 112.21 g/mol
- Monoisotopic mass
- 112.12520051
Overview
See also: (2E)-5-methylhept-2-ene (annotation moved to).
Names & identifiers
- Preferred name
- 5-Methylhept-2-ene
- IUPAC
- 5-methylhept-2-ene
- English name
- 5-Methyl-2-heptene
- Molecular formula
- C8H16
- Molecular weight
- 112.21
Names & synonyms
5-methylhept-2-eneDTXSID601015949RefChem:1073146DTXCID30147410622487-87-224608-84-2SCHEMBL57219SCHEMBL1586806SCHEMBL2119534SCHEMBL2120857SCHEMBL6293215SCHEMBL6293216
Show more names
2-Heptene, 5-methyl-5-Methyl-2-heptene5-Methyl-hepten-(2)(2E)-5-Methyl-2-heptene5-Methyl-2-heptene(cis-andtrans-mixture)>5-Methyl-2-heptene (cis- and trans- mixture)5-methyl-2-heptene(cis-andtrans-mixture)95+%5-Methyl-2-heptene (cis- and trans- mixture)
SCHEMBL9200996
Database identifiers
- CAS
22487-87-2- PubChem CID
- 519962
- DTXSID
DTXSID601015949
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 62.4
Physicochemical properties
- Boiling point
- 115.241 · 115.241±7.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.73 · 0.73
- refractive index
- 1.414 · 1.4140-1.4160
- Flash point
- 13 °C · 13 °C
- form
- clear liquid
- color
- Colorless to Almost colorless
- Symbol(GHS)
- 2 · GHS02,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H304
- Precautionary statements
- 210 · P210-P233-P240-P241+P242+P243-P280-P301+P310+P331-P303+P361+P353-P370+P378-P403+P235-P405-P501
- RIDADR
- 3295 · 3295
- HS Code
- 2901.29 · 2901.29.5000
- HazardClass
- 3 · 3
- PackingGroup
- II
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 3295
- hs_code
- 2901.29.5000
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS08
- hazard_class
- 3
- packing_group
- II
- Hazard statements
- H225-H304
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P280-P301+P310+P331-P303+P361+P353-P370+P378-P403+P235-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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