Trimethyl orthoacetate
Properties
- Molecular formula
- C5H12O3
- Molar mass
- 120.15 g/mol
- Exact mass
- 120.0786 Da
- Boiling point
- 108 °C
- logP
- 0.60Crippen estimate
- Polar surface area
- 27.7 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 3
Hazards
Danger
- H225 Highly Flammable liquid and vapor97.5% of notifiers
- H317 May cause an allergic skin reaction76.1% of notifiers
- H319 Causes serious eye irritation75.1% of notifiers
Aggregated from 201 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264+P265, P272, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P370+P378, P403+P235, P501
Identifiers
CAS number
1445-45-0SMILES
COC(C)(OC)OCInChIKey
HDPNBNXLBDFELL-UHFFFAOYSA-NInChI
InChI=1S/C5H12O3/c1-5(6-2,7-3)8-4/h1-4H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Ethane, 1,1,1-trimethoxy-
- Orthoacetic acid, trimethyl ester
- 1,1,1-Trimethoxyethane
- Methyl orthoacetate
Work with Trimethyl orthoacetate
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
Methyl tert-butyl ether1634-04-447 % similar
2,2-Dimethoxypropane77-76-947 % similar
Tetramethoxymethane1850-14-243 % similar
3,3,6,6-Tetramethoxycyclohexa-1,4-diene15791-03-435 % similar
Dimethylacetamide dimethyl acetal18871-66-435 % similar
tert-Amyl methyl ether994-05-835 % similar
1-Bromo-2,2-dimethoxypropane126-38-533 % similar
1,1,1-Trimethoxypropane24823-81-232 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.