5-Methylhex-2-ene
Basic information
- CAS
3404-62-4- Standard SMILES
CC=CCC(C)C- InChIKey
GHBKCPRDHLITSE-UHFFFAOYSA-N- Molecular formula
- C7H14
- Average molar mass
- 98.19 g/mol
- Monoisotopic mass
- 98.10955045
Names & identifiers
- Preferred name
- 5-Methylhex-2-ene
- IUPAC
- 5-methylhex-2-ene
- English name
- 5-Methyl-2-hexene
- Molecular formula
- C7H14
- Molecular weight
- 98.19
Names & synonyms
5-methylhex-2-eneDTXSID6063014RefChem:1073147DTXCID70387815,5-dimethyl-2-pentene2-HEXENE, 5-METHYLSCHEMBL106385SCHEMBL1190906SCHEMBL2118069SCHEMBL2910043SCHEMBL3920549SCHEMBL5985957
Show more names
5-methyl-2-hexen5-Methyl-2-hexene2-Hexene, 5-methyl-(2E)-5-Methyl-2-hexene5-Methyl-2-hexene 5-Methyl-2-hexene (c,t)TRANS-5-METHYL-2-HEXENE5-Methyl-2-hexene(cis-andtrans-mixture)>5-METHYL-2-HEXENE (CIS- AND TRANS- MIXTURE)
SCHEMBL6118813SCHEMBL6118817SCHEMBL7278397SCHEMBL7873088SCHEMBL17219496SCHEMBL28297972DB-306779
Database identifiers
- CAS
3404-62-4- PubChem CID
- 18849
- DTXSID
DTXSID6063014
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 51.1
Physicochemical properties
- Boiling point
- 86 · 86-88 °C
- Density
- 0 · 0,7 g/cm3
- refractive index
- 1.399 · 1.3990-1.4030
- form
- clear liquid
- color
- Colorless to Almost colorless
- CAS DataBase Reference
- 3404 · 3404-62-4
- FDA UNII
- 65 DR4GEC · NC65DR4GEC
- EPA Substance Registry System
- 2 · 2-Hexene, 5-methyl- (3404-62-4)
- Symbol(GHS)
- 2 · GHS02,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H304
- Precautionary statements
- 210 · P210-P233-P240-P241+P242+P243-P280-P301+P310+P331-P303+P361+P353-P370+P378-P403+P235-P405-P501
- Risk Statements
- 11 · 11
- Safety Statements
- 16 · 16-33
- RIDADR
- 3295 · 3295
- TSCA
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- ridadr
- 3295
- hs_code
- 2901.29.1050
- risk_code
- 11
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS08
- safety_code
- 16-33
- hazard_class
- 3
- packing_group
- II
- Hazard statements
- H225-H304
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P280-P301+P310+P331-P303+P361+P353-P370+P378-P403+P235-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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