4-Octyne
Properties
- Molecular formula
- C8H14
- Molar mass
- 110.20 g/mol
- Exact mass
- 110.1096 Da
- Density
- 0.7521 g/mL (at 20 °C)
- Melting point
- −101 °C
- Boiling point
- 131.6 °C
- logP
- 2.59Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 2
Hazards
Danger
- H226 Flammable liquid and vapor92.6% of notifiers
- H304 May be fatal if swallowed and enters airways98.1% of notifiers
- H315 Causes skin irritation87% of notifiers
- H319 Causes serious eye irritation88.9% of notifiers
- H335 May cause respiratory irritation88.9% of notifiers
Aggregated from 54 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
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, P501
Identifiers
CAS number
1942-45-6SMILES
CCCC#CCCCInChIKey
GZTNBKQTTZSQNS-UHFFFAOYSA-NInChI
InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Dipropylacetylene
- 1,2-Dipropylacetylene
- Dipropylethyne
Work with 4-Octyne
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
4-Nonyne20184-91-273 % similar
Hept-3-yne2586-89-273 % similar
4-Decyne2384-86-369 % similar
3-Heptyn-1-ol14916-79-165 % similar
Hex-2-yn-1-ol764-60-365 % similar
2-Hexyne764-35-263 % similar
5-Decyne1942-46-760 % similar
6-Dodecyne6975-99-156 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.