2-((Acetyloxy)methoxy)ethyl acetate

C₇H₁₂O₅CAS 59278-00-1176.17 g/mol

Open in Covalent MOL file

Acetal Ester Ether

Properties

Molecular formula: C₇H₁₂O₅
Molar mass: 176.17 g/mol
Exact mass: 176.0685 Da
Density: 1.1382 g/mL (at 20 °C)
Boiling point: 114–116 °C (at 10 Torr)
logP: 0.09Crippen estimate
Polar surface area: 61.8 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 5

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled33.3% of notifiers
H302 Harmful if swallowed83.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 6 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

59278-00-1

SMILES

CC(=O)OCCOCOC(C)=O

InChIKey

XFEQOLXBMLXKDE-UHFFFAOYSA-N

InChI

InChI=1S/C7H12O5/c1-6(8)11-4-3-10-5-12-7(2)9/h3-5H2,1-2H3

Weigh it out

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

Names and synonyms

9 names

Ethanol, 2-[(acetyloxy)methoxy]-, 1-acetate
Ethanol, 2-[(acetyloxy)methoxy]-, acetate
Ethanol, 2-(hydroxymethoxy)-, diacetate
2-Acetoxyethyl acetoxymethyl ether
1,4-Diacetoxy-2-oxabutane
(2-Acetoxyethoxy)methyl acetate
2-Oxa-1,4-butanediol diacetate
2-Acetoxymethoxyethyl acetate
2-(Acetyloxymethoxy)ethyl acetate

Work with 2-((Acetyloxy)methoxy)ethyl acetate

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

1,8-Diacetoxy-3,6-dioxaoctane111-21-777 % similar Oxydiethylene acetate628-68-277 % similar Glycol diacetate111-55-771 % similar 2-Ethoxyethyl acetate111-15-965 % similar Carbitol acetate112-15-263 % similar Diethylene glycol monomethyl ether acetate629-38-963 % similar 2-Butoxyethanol acetate112-07-259 % similar Diethylene glycol monobutyl ether acetate124-17-459 % similar

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

Same formula

Methyl 4,4-dimethoxyacetylacetate60705-25-1 1,5-Dimethyl 3-hydroxypentanedioate7250-55-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook