2,3-Dimethyl-2-hexene
Basic information
- CAS
7145-20-2- Standard SMILES
CCCC(C)=C(C)C- InChIKey
RGYAVZGBAJFMIZ-UHFFFAOYSA-N- Molecular formula
- C8H16
- Average molar mass
- 112.21 g/mol
- Monoisotopic mass
- 112.12520051
Names & identifiers
- Preferred name
- 2,3-Dimethyl-2-hexene
- IUPAC
- 2,3-dimethylhex-2-ene
- English name
- 2,3-DIMETHYL-2-HEXENE
- Molecular formula
- C8H16
- Molecular weight
- 112.21
Names & synonyms
2,3-DIMETHYL-2-HEXENE2,3-Dimethylhex-2-ene2-Hexene, 2,3-dimethyl-7F29TG2XKPEINECS 230-452-6NSC-74163DTXSID60221638NSC 74163C2H5CH2C(CH3)=C(CH3)2RefChem:81822DTXCID90144129RGYAVZGBAJFMIZ-UHFFFAOYSA-N
Show more names
2-hexene,2,3-dimethyl-
7145-20-2TRIMETHYLPENTENENSC741632-Hexene,3-dimethyl-2,3-dimethyl-hex-2-eneUNII-7F29TG2XKPSCHEMBL73804SCHEMBL1013914
Database identifiers
- CAS
7145-20-2- PubChem CID
- 23528
- DTXSID
DTXSID60221638- UNII
- 7F29TG2XKP
- EC Number
- 230-452-6
- Nikkaji
- J110.412H
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 84.2
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -115.1 °C · -115.1°C
- Boiling point
- 121.86 °C · 121.86°C
- Density
- 0.7312 · 0.7312
- refractive index
- 1.4244 · 1.4244
- Henry's Law Constant
- 9.1 · 9.1×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- FDA UNII
- 7 F29TG2XKP · 7F29TG2XKP
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Danger
- Hazard statements
- 225 · H225-H317-H319
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P
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 (97.4%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264+P265, P272, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 (97.4%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS02
- Hazard statements
- H225-H317-H319
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P
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Related reactions
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Compound notes
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