3-Methyl-1-hexene
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Basic information
- CAS
3404-61-3- Standard SMILES
C=CC(C)CCC- InChIKey
RITONZMLZWYPHW-UHFFFAOYSA-N- Molecular formula
- C7H14
- Average molar mass
- 98.19 g/mol
- Monoisotopic mass
- 98.10955045
Overview
3-methyl-1-Hexene is a hydrocarbon.
Names & identifiers
- Preferred name
- 3-Methyl-1-hexene
- IUPAC
- 3-methylhex-1-ene
- English name
- 3-Methyl-1 -hexene
- Molecular formula
- C7H14
- Molecular weight
- 98.19
Names & synonyms
3-METHYL-1-HEXENE3404-61-33-Methylhex-1-ene1-Hexene, 3-methyl-9VT7I274NMEINECS 222-283-1NSC 73925NSC-73925DTXSID10871021RefChem:503487DTXCID90818696MFCD00009407
Show more names
NSC739253-methyl-hex-1-ene3-METHYL-1-HEXANEUNII-9VT7I274NMSCHEMBL72849SCHEMBL387577SCHEMBL1017806SCHEMBL2122873
Database identifiers
- CAS
3404-61-3- PubChem CID
- 18848
- DTXSID
DTXSID10871021- ChEBI
CHEBI:229295- UNII
- 9VT7I274NM
- EC Number
- 222-283-1
- Nikkaji
- J100.684C
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 46
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 83.9 °C · 83.9 °C
- Density
- 0.6945 g/cm3 · 0.6945 g/cm3
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)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Hexene, 3-methyl-: INACTIVE
Related reactions
1 records
Compound notes
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