2-Hexene, 2,5-dimethyl-
Basic information
- CAS
18923-87-0- Standard SMILES
CC(C)=CCC(C)C- InChIKey
VFZIUYUUQFYZBR-UHFFFAOYSA-N- Molecular formula
- C8H16
- Average molar mass
- 112.21 g/mol
- Monoisotopic mass
- 112.12520051
Names & identifiers
- Preferred name
- 2-Hexene, 2,5-dimethyl-
- IUPAC
- 2,5-dimethylhex-2-ene
- English name
- 2,5-Dimethyl-2-hexene
- Molecular formula
- C8H16
- Molecular weight
- 112.21
Names & synonyms
2,5-DIMETHYL-2-HEXENE2,5-dimethylhex-2-ene2-Hexene, 2,5-dimethyl-UNII-9X0D0DC5MZ9X0D0DC5MZNSC-74164DTXSID50871025NSC 74164RefChem:87288DTXCID20818700678-119-8VFZIUYUUQFYZBR-UHFFFAOYSA-N
Show more names
2-hexene,2,5-dimethyl-2,5-Dimethyl-2-hexene>2,5-DIMETHYL-2-HEXENE 95+%
3404-78-2MFCD00026436NSC741642,5-dimethyl-hex-2-eneAKOS02529518418923-87-0D2076D89989
Database identifiers
- CAS
18923-87-0、3404-78-2- PubChem CID
- 18853
- DTXSID
DTXSID50871025- UNII
- 9X0D0DC5MZ
- EC Number
- 678-119-8
- Nikkaji
- J110.410A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -103.01 °C · -103.01°C (estimate)
- Boiling point
- 113 °C · 113 °C
- Density
- 0 · 0,72 g/cm3
- refractive index
- 1.413 · 1.4130-1.4160
- Flash point
- 11 °C · 11°C(lit.)
- form
- clear liquid
- color
- Colorless to Almost colorless
- Henry's Law Constant
- 1.2 · 1.2×10-5 mol/(m3Pa) at 25℃, Yaws (2003)
- Dielectric constant
- 2.43 · 2.4300000000000002
- FDA UNII
- 9 X0D0DC5MZ · 9X0D0DC5MZ
- 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
- 10 · 10
- Safety Statements
- 16 · 16
- RIDADR
- 1216 · 1216
- HS Code
- 2901.1 · 2901.10.5000
- HazardClass
- 3 · 3
- PackingGroup
- II
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
Warning
H226 (95.7%): Flammable liquid and vapor [Warning 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)
Aggregated GHS information provided per 23 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (95.7%)
Safety data
- ridadr
- 1216
- hs_code
- 2901.10.5000
- risk_code
- 10
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS08
- safety_code
- 16
- 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
Suppliers
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Related reactions
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Compound notes
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