3-Methyl-2-hexene
Basic information
- CAS
17618-77-8- Standard SMILES
CC=C(C)CCC- InChIKey
JZMUUSXQSKCZNO-UHFFFAOYSA-N- Molecular formula
- C7H14
- Average molar mass
- 98.19 g/mol
- Monoisotopic mass
- 98.10955045
Names & identifiers
- Preferred name
- 3-Methyl-2-hexene
- IUPAC
- 3-methylhex-2-ene
Names & synonyms
17618-77-8DTXSID50871207RefChem:503664DTXCID908188783-Methyl-2-hexene3-methylhex-2-eneSCHEMBL107787SCHEMBL149207SCHEMBL663214SCHEMBL1014582SCHEMBL2102367SCHEMBL2102369
Show more names
SCHEMBL2501041SCHEMBL7869334SCHEMBL8873824SCHEMBL10399927SCHEMBL27848848DB-044254NS00096237
Database identifiers
- CAS
17618-77-8- PubChem CID
- 25402
- DTXSID
DTXSID50871207- EC Number
- 678-593-6
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 60.4
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
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
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Suppliers
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Related reactions
0 records
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Compound notes
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