Triethylene glycol monobenzyl ether

C13H20O4CAS 55489-58-2240.30 g/mol

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AlcoholEther

Properties

Molecular formula
C13H20O4
Molar mass
240.30 g/mol
Exact mass
240.1362 Da
logP
1.23Crippen estimate
Polar surface area
47.9 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
10

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
55489-58-2
SMILES
C1=CC=C(C=C1)COCCOCCOCCO
InChIKey
KVPHZILZNXDCNH-UHFFFAOYSA-N
InChI
InChI=1S/C13H20O4/c14-6-7-15-8-9-16-10-11-17-12-13-4-2-1-3-5-13/h1-5,14H,6-12H2

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Work with Triethylene glycol monobenzyl 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

2-[2-(Benzyloxy)ethoxy]ethan-1-ol2050-25-1100 % similar Hexaethylene glycol monobenzyl ether24342-68-5100 % similar 2-[2-[2-[2-[2-(Benzyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol57671-28-0100 % similar 2-[2-[2-[2-(Benzyloxy)ethoxy]ethoxy]ethoxy]ethanol86259-87-2100 % similar 2-(Benzyloxy) ethanol622-08-292 % similar 3-Benzyloxy-1-propanol4799-68-271 % similar Dibenzyl ether103-50-456 % similar Benzyl 2-bromoethyl ether1462-37-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Neopentyl glycol dimethacrylate1985-51-9 Diethyl diallylmalonate3195-24-2 Norprostol40098-26-8

Elsewhere

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