4-Ethyl-1-octyn-3-ol

C₁₀H₁₈OCAS 5877-42-9154.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₈O
Molar mass: 154.25 g/mol
Exact mass: 154.1358 Da
Density: 0.873 g/mL (at 20 °C)
Boiling point: 91 °C (at 10 Torr)
logP: 2.20Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 5

Hazards

Danger

H311 Toxic in contact with skin61.9% of notifiers
H315 Causes skin irritation36.5% of notifiers
H319 Causes serious eye irritation38.1% of notifiers
H400 Very toxic to aquatic life61.9% of notifiers
H412 Harmful to aquatic life with long lasting effects36.5% of notifiers

Aggregated from 63 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P262, P264, P264+P265, P270, P273, P280, P302+P352, P305+P351+P338, P316, P321, P332+P317, P337+P317, P361+P364, P362+P364, P391, P405, P501

Identifiers

CAS number

5877-42-9

SMILES

C#CC(O)C(CC)CCCC

InChIKey

CUUQUEAUUPYEKK-UHFFFAOYSA-N

InChI

InChI=1S/C10H18O/c1-4-7-8-9(5-2)10(11)6-3/h3,9-11H,4-5,7-8H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

4 names

1-Octyn-3-ol, 4-ethyl-
4-Ethyl-3-hydroxy-1-octyne
Ethyloctynol
NSC 62119

Work with 4-Ethyl-1-octyn-3-ol

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Heptyn-3-ol7383-19-953 % similar 1-Octyn-3-ol818-72-447 % similar 3-Heptanol589-82-244 % similar 1-Hexyn-3-ol105-31-742 % similar 1-Pentyn-3-ol4187-86-441 % similar 3-Methylheptane589-81-141 % similar Nonan-5-ol623-93-839 % similar 3-Octanol20296-29-138 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

p-Menthan-3-one10458-14-7 (-)-α-Terpineol10482-56-1 3-Decen-2-one10519-33-2 Citric106-23-0 Geraniol106-24-1 Nerol106-25-2 Isoborneol124-76-5 (-)-Linalool126-91-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook