3-Ethyl-3-pentanol

C₇H₁₆OCAS 597-49-9116.20 g/mol

Open in Covalent MOL file

Alcohol

Properties

Molecular formula: C₇H₁₆O
Molar mass: 116.20 g/mol
Exact mass: 116.1201 Da
Density: 0.8407 g/mL (at 22.4 °C)
Melting point: −12.5 °C
Boiling point: 142 °C
logP: 1.95Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed86.7% of notifiers
H315 Causes skin irritation86.7% of notifiers
H318 Causes serious eye damage86.7% of notifiers
H335 May cause respiratory irritation86.7% of notifiers

Aggregated from 45 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, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

597-49-9

SMILES

CCC(O)(CC)CC

InChIKey

XKIRHOWVQWCYBT-UHFFFAOYSA-N

InChI

InChI=1S/C7H16O/c1-4-7(8,5-2)6-3/h8H,4-6H2,1-3H3

Weigh it out

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

Names and synonyms

6 names

3-Pentanol, 3-ethyl-
Triethylcarbinol
Triethylmethanol
3-Ethyl-3-hydroxypentane
1,1-Diethyl-1-propanol
NSC 25500

Reactions

TRIETHYL CARBINOL (3-Pentanol, 3-ethyl-)product

Work with 3-Ethyl-3-pentanol

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

1-Ethylcyclopentanol1462-96-065 % similar 1-Ethylcyclohexanol1940-18-761 % similar 3-Ethylhexan-3-ol597-76-261 % similar tert-Amyl alcohol75-85-444 % similar 3-Methyl-3-pentanol77-74-744 % similar 3,6-Dimethyl-4-octyne-3,6-diol78-66-038 % similar 2,2-Diethyl-1,3-propanediol115-76-437 % similar Trimethylolpropane77-99-637 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Heptanol111-70-6 2,2-Dimethyl-3-pentanol3970-62-5 Hexyl methyl ether4747-07-3 2-Heptanol543-49-7 4-Heptanol589-55-9 3-Heptanol589-82-2 2,4-Dimethyl-3-pentanol600-36-2 (+)-2-Heptanol6033-23-4

Elsewhere

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