Oct-3-yne
Basic information
- CAS
15232-76-5- Standard SMILES
CCC#CCCCC- InChIKey
UDEISTCPVNLKRJ-UHFFFAOYSA-N- Molecular formula
- C8H14
- Average molar mass
- 110.2 g/mol
- Monoisotopic mass
- 110.10955045
Names & identifiers
- Preferred name
- Oct-3-yne
- IUPAC
- oct-3-yne
- English name
- 3-Octyne
- Molecular formula
- C8H14
- Molecular weight
- 110.2
Names & synonyms
3-OctyneOct-3-yneEINECS 239-280-6UDEISTCPVNLKRJ-UHFFFAOYSA-DTXSID60871238RefChem:855407DTXCID40818909239-280-6InChI=1/C8H14/c1-3-5-7-8-6-4-2/h3-5,7H2,1-2H315232-76-5ButylethylacetyleneMFCD00027276
Show more names
3-Octyne>3-OCTYNE 98%3-Octyne, 98+%C4H9CequivCC2H5Butylethyl acetyleneN-BUTYLETHYLACETYLENE1-Butyl-2-ethylacetylene
1-Ethyl-2-butylacetyleneEthylbutylacetyleneSCHEMBL54934SCHEMBL157348SCHEMBL290389SCHEMBL367118SCHEMBL2117720SCHEMBL2122507
Database identifiers
- CAS
15232-76-5- PubChem CID
- 84849
- DTXSID
DTXSID60871238- EC Number
- 239-280-6
- Nikkaji
- J125.194E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 89.1
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -104 °C · -104°C
- Boiling point
- 131 · 131-133°C
- Density
- 0 · 0,75 g/cm3
- refractive index
- 1.423 to · 1.4230 to 1.4260
- Flash point
- 21 °C · 21°C
- form
- clear liquid
- color
- Colorless to Almost colorless
- Henry's Law Constant
- 1.5 · 1.5×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
- CAS DataBase Reference
- 15232 · 15232-76-5(CAS DataBase Reference)
- Symbol(GHS)
- 2 · GHS02,GHS08
- Signal word
- Danger
- Hazard statements
- 304 · H304-H225
- Precautionary statements
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 (75%): 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 52 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (75%)
Safety data
- ridadr
- 3295
- hs_code
- 29012990
- risk_code
- 10-36/37/38-65
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS08
- safety_code
- 3/7-9-26-33-37-62-16
- hazard_class
- 3
- packing_group
- II
- Hazard statements
- H304-H225
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P331-P303+P361+P353-P301+P310-P403+P235-P405
Chemistry & industry
Applications
Uses3-Octyne is mainly used in organic synthesis. This product has irritant properties and a mild anesthetic effect. High concentrations can cause asphyxiation.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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