1-Hexene, 5,5-dimethyl-
Basic information
- CAS
7116-86-1- Standard SMILES
C=CCCC(C)(C)C- InChIKey
KZJIOVQKSAOPOP-UHFFFAOYSA-N- Molecular formula
- C8H16
- Average molar mass
- 112.21 g/mol
- Monoisotopic mass
- 112.12520051
Names & identifiers
- Preferred name
- 1-Hexene, 5,5-dimethyl-
- IUPAC
- 5,5-dimethylhex-1-ene
- English name
- 5,5-dimethylhex-1-ene
- Molecular formula
- C8H16
- Molecular weight
- 112.21
Names & synonyms
5,5-Dimethylhex-1-ene1-Hexene, 5,5-dimethyl-5,5-DIMETHYL-1-HEXENEEINECS 230-419-6U3IH86JV6UDTXSID80645655,5Dimethyl1hexene5,5Dimethylhex1ene5,5Dimethylhexene1RefChem:75933DTXCID1046922KZJIOVQKSAOPOP-UHFFFAOYSA-N
Show more names
7116-86-15,5-Dimethylhexene-15,5-dimethyl-hex-1-eneUNII-U3IH86JV6USCHEMBL73805SCHEMBL384150SCHEMBL1682190SCHEMBL3541977
Database identifiers
- CAS
7116-86-1- PubChem CID
- 23502
- DTXSID
DTXSID8064565- UNII
- U3IH86JV6U
- EC Number
- 230-419-6
- Nikkaji
- J124.843J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 64.6
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Unsaturated
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -103.01 °C · -103.01°C (estimate)
- Boiling point
- 120.2 °C · 120.2°C (estimate)
- Density
- 0.705 · 0.7050
- refractive index
- 1.4024 · 1.4024
- Henry's Law Constant
- 1.4 · 1.4×10-5 mol/(m3Pa) at 25℃, Yaws (2003)
- FDA UNII
- 3 IH86JV6U · U3IH86JV6U
- EPA Substance Registry System
- 1 · 1-Hexene, 5,5-dimethyl- (7116-86-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-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.
Hazard information
Hazards SummarySee 1-Hexene.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Hexene, 5,5-dimethyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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