Trimethyl orthobenzoate
Properties
- Molecular formula
- C10H14O3
- Molar mass
- 182.22 g/mol
- Exact mass
- 182.0943 Da
- Boiling point
- 87–88 °C
- logP
- 1.74Crippen estimate
- Polar surface area
- 27.7 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation96.6% of notifiers
- H319 Causes serious eye irritation98.3% of notifiers
- H335 May cause respiratory irritation98.3% of notifiers
Aggregated from 58 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
707-07-3SMILES
COC(OC)(OC)c1ccccc1InChIKey
IECKAVQTURBPON-UHFFFAOYSA-NInChI
InChI=1S/C10H14O3/c1-11-10(12-2,13-3)9-7-5-4-6-8-9/h4-8H,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Methyl orthobenzoate
- Benzene, (trimethoxymethyl)-
- Orthobenzoic acid, trimethyl ester
- (Trimethoxymethyl)benzene
- Trimethoxyphenylmethane
- α,α,α-Trimethoxytoluene
- NSC 67391
- Trimethyl orthobeznoate
Work with Trimethyl orthobenzoate
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
1,1′-(Dimethoxymethylene)bis[benzene]2235-01-067 % similar
Triethyl orthobenzoate1663-61-250 % similar
2,2-Dimethoxy-2-phenylacetophenone24650-42-845 % similar
Methoxyphenyl(trifluoromethyl)acetonitrile80866-87-145 % similar
Dicumyl peroxide80-43-344 % similar
2,2-Diphenyloxirane882-59-744 % similar
2,3-Dimethyl-2,3-diphenylbutane1889-67-443 % similar
Dimethyldiphenylmethane778-22-343 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.