Nonaethylene glycol monododecyl ether

C₃₀H₆₂O₁₀CAS 3055-99-0582.82 g/mol

Open in Covalent MOL file

Alcohol Ether

Properties

Molecular formula: C₃₀H₆₂O₁₀
Molar mass: 582.82 g/mol
Exact mass: 582.4343 Da
Melting point: 33.3–33.6 °C
logP: 4.05Crippen estimate
Polar surface area: 103.3 Å²
H-bond donors / acceptors: 1 / 10
Rotatable bonds: 37

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation30% of notifiers
H318 Causes serious eye damage60% of notifiers
H319 Causes serious eye irritation20% of notifiers
H335 May cause respiratory irritation10% of notifiers
H400 Very toxic to aquatic life20% of notifiers
H412 Harmful to aquatic life with long lasting effects20% of notifiers

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

3055-99-0

SMILES

CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

InChIKey

ONJQDTZCDSESIW-UHFFFAOYSA-N

InChI

InChI=1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3

Weigh it out

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

Names and synonyms

7 names

3,6,9,12,15,18,21,24,27-Nonaoxanonatriacontan-1-ol
Do 9/R3
Ethanol, 2-[2-[2-[2-[2-[2-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-
C12E9
Nonaoxyethylene monododecyl ether
C12EO9
2-[2-[2-[2-[2-[2-[2-[2-(2-Dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

Work with Nonaethylene glycol monododecyl ether

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

Diethylene glycol monohexyl ether112-59-4100 % similar 3,6,9,12-Tetraoxaeicosan-1-ol19327-39-0100 % similar 2-(2-(2-(Dodecyloxy)ethoxy)ethoxy)ethanol3055-94-5100 % similar 3,6,9,12,15,18-Hexaoxatriacontan-1-ol3055-96-7100 % similar Heptaethylene glycol dodecyl ether3055-97-8100 % similar Octaethylene glycol monododecyl ether3055-98-9100 % similar Ceteth-25274-61-3100 % similar 3,6,9,12-Tetraoxatetracosan-1-ol5274-68-0100 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook