2-Hexoxyethanol
Properties
- Molecular formula
- C8H18O2
- Molar mass
- 146.23 g/mol
- Exact mass
- 146.1307 Da
- Density
- 0.8894 g/mL (at 20 °C)
- Melting point
- −45.1 °C
- Boiling point
- 208 °C
- Flash point
- 81.7 °C (closed cup)
- logP
- 1.58Crippen estimate
- Polar surface area
- 29.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 7
Hazards
Danger
- H302 Harmful if swallowedAcute toxicity, oral
- H312 Harmful in contact with skinAcute toxicity, dermal
- H314 Causes severe skin burns and eye damageSkin corrosion/irritation
Harmonised EU classification (CLP Annex VI), via PubChem.
Precautionary statements
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501
Identifiers
CAS number
112-25-4SMILES
CCCCCCOCCOInChIKey
UPGSWASWQBLSKZ-UHFFFAOYSA-NInChI
InChI=1S/C8H18O2/c1-2-3-4-5-7-10-8-6-9/h9H,2-8H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
12 names
- Ethanol, 2-(hexyloxy)-
- 2-(Hexyloxy)ethanol
- Ethylene glycol n-hexyl ether
- Ethylene glycol monohexyl ether
- Glycol monohexyl ether
- n-Hexyl cellosolve
- Hexyl cellosolve
- 3-Oxa-1-nonanol
- Ethylene glycol mono-n-hexyl ether
- Ethylene glycol hexyl ether
- Hexyl glycol
- 2-(Hexyloxy)ethan-1-ol
Work with 2-Hexoxyethanol
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
2-(Octadecyloxy)ethanol2136-72-3100 % similar
Polyethylene glycol lauryl ether6540-99-4100 % similar
Polyethylene glycol lauryl ether9002-92-0100 % similar
Cetomacrogol 10009004-95-9100 % similar
Ethylene glycol monooctadecyl ether9005-00-9100 % similar
Diethylene glycol monohexyl ether112-59-495 % similar
3,6,9,12-Tetraoxaeicosan-1-ol19327-39-095 % similar
2-(2-(2-(Dodecyloxy)ethoxy)ethoxy)ethanol3055-94-595 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds