Basic information
- CAS
4810-09-7- Standard SMILES
C=CC(C)CCCC- InChIKey
QDMFTFWKTYXBIW-UHFFFAOYSA-N- Molecular formula
- C8H16
- Average molar mass
- 112.21 g/mol
- Monoisotopic mass
- 112.12520051
Overview
3-Methyl-1-heptene is a hydrocarbon.
Names & identifiers
- Preferred name
- 3-Methyl-1-heptene
- IUPAC
- 3-methylhept-1-ene
- English name
- 3-Methyl-1-heptene
- Molecular formula
- C8H16
- Molecular weight
- 112.21
Names & synonyms
3-METHYL-1-HEPTENE3-Methylhept-1-ene1-Heptene, 3-methyl-EINECS 225-372-3DTXSID508711013Methyl1hepteneRefChem:94698DTXCID50818773225-372-3QDMFTFWKTYXBIW-UHFFFAOYSA-N4810-09-73-methyl-hept-1-ene
Show more names
SCHEMBL57303SCHEMBL202195SCHEMBL202196SCHEMBL386867SCHEMBL1020265SCHEMBL16288471CHEBI:88860LMFA11000592
Database identifiers
- CAS
4810-09-7- PubChem CID
- 20946
- DTXSID
DTXSID50871101- ChEBI
CHEBI:88860- EC Number
- 225-372-3
- Nikkaji
- J125.215A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 55.1
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Unsaturated
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
Physicochemical properties
- Melting point
- -103.01 °C · -103.01°C (estimate)
- Boiling point
- 111 °C · 111°C
- Density
- 0.767 · 0.7670
- refractive index
- 1.404 · 1.4040
- Henry's Law Constant
- 1.1 · 1.1×10-5 mol/(m3Pa) at 25℃, Yaws (2003)
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 SummaryOverexposure may cause skin and eye irritation; May have anesthetic effects (drowsiness, dizziness, and headache); [ChemSampCo MSDS] See 1-Heptene.
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
Additional notes
DefinitionChEBI: 3-Methyl-1-heptene is a hydrocarbon.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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