2-Hexyne
Basic information
- CAS
764-35-2- Standard SMILES
CC#CCCC- InChIKey
MELUCTCJOARQQG-UHFFFAOYSA-N- Molecular formula
- C6H10
- Average molar mass
- 82.14 g/mol
- Monoisotopic mass
- 82.07825032
Names & identifiers
- Preferred name
- 2-Hexyne
- IUPAC
- hex-2-yne
- English name
- 2-Hexyne
- Molecular formula
- C6H10
- Molecular weight
- 0
Names & synonyms
2-HEXYNE764-35-2Hex-2-yneMethyl(propyl)acetyleneEC0WA2IXU7MFCD00009470EINECS 212-117-6UNII-EC0WA2IXU7MethylpropylacetyleneMethyl propyl acetylene2-Hexyne, 99%1-Methyl-2-propylacetylene
Show more names
SCHEMBL7744SCHEMBL7796SCHEMBL23013SCHEMBL23893SCHEMBL38914SCHEMBL38915SCHEMBL971763C3H7C.$.CCH3
Database identifiers
- CAS
764-35-2- PubChem CID
- 33629
- DTXSID
DTXSID9074725- UNII
- EC0WA2IXU7
- EC Number
- 212-117-6
- Nikkaji
- J6.968J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 68.5
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Unsaturated
SpringerMaterials PropertiesBoiling point
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- -89.6 °C · -89.6 °C
- Boiling point
- 84.5 °C · 84.5 °C
- Density
- 0.7493 g/cm3 · 0.7493 g/cm3(Temp: 0 °C)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Danger
- Hazard statements
- 225 · H225
- Precautionary statements
- 210 · P210
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, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information2-Hexyne: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; Harmful by ingestion (may cause lung damage by aspiration); [Alfa Aesar MSDS] See 3-Hexyne.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- Hazard statements
- H225
- Precautionary statements
- P210
Suppliers
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Related reactions
0 records
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Compound notes
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