Basic information
- CAS
7385-78-6- Standard SMILES
C=CC(C)C(C)C- InChIKey
WFHXQNMTMDKVJG-UHFFFAOYSA-N- Molecular formula
- C7H14
- Average molar mass
- 98.19 g/mol
- Monoisotopic mass
- 98.10955045
Names & identifiers
- Preferred name
- 1-pentene, 3,4-dimethyl-(8ci)
- IUPAC
- 3,4-dimethylpent-1-ene
- English name
- 3,4-DIMETHYL-1-PENTENE
- Molecular formula
- C7H14
- Molecular weight
- 98.19
Names & synonyms
3,4-DIMETHYL-1-PENTENE7385-78-61-Pentene, 3,4-dimethyl-NSC 741373,4Dimethyl1penteneRefChem:4354121-pentene, 3,4-dimethyl-(8ci)1-Pentene, 3,4-dimethyl-(8CI)(9CI)103-398-53,4-dimethylpent-1-eneSCHEMBL196706SCHEMBL215061
Show more names
Nsc741373,4-dimethyl-pent-1-ene
SCHEMBL215062SCHEMBL3550963SCHEMBL8014893SCHEMBL11263557SCHEMBL17219453DTXSID30871189WFHXQNMTMDKVJG-UHFFFAOYSA-N(CH3)2CHCH(CH3)CH=CH2
Database identifiers
- CAS
7385-78-6- PubChem CID
- 23866
- DTXSID
DTXSID30871189- EC Number
- 103-398-5
- Nikkaji
- J244E
Properties
Computed structural properties
- XLogP
- 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
- 53.1
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Unsaturated
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -124.4 °C · -124.4°C (estimate)
- Boiling point
- 80.8 °C · 80.8°C
- Density
- 0.6934 · 0.6934
- refractive index
- 1.3965 · 1.3965
- Henry's Law Constant
- 2 · 2.0×10-5 mol/(m3Pa) at 25℃, Yaws (2003)
- EPA Substance Registry System
- 1 · 1-Pentene, 3,4-dimethyl- (7385-78-6)
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, P303+P361+P353, P370+P378, P403+P235, 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
Hazards SummaryOverexposure may cause skin and eye irritation; May have anesthetic effects (drowsiness, dizziness, and headache); [ChemSampCo MSDS] See 1-Pentene.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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