1-(3,5-Dimethoxyphenyl)ethan-1-one
Properties
- Molecular formula
- C10H12O3
- Molar mass
- 180.20 g/mol
- Exact mass
- 180.0786 Da
- Melting point
- 42–43 °C
- Boiling point
- 151–152 °C (at 10 Torr)
- logP
- 1.91Crippen estimate
- Polar surface area
- 35.5 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation66.7% of notifiers
- H319 Causes serious eye irritation66.7% of notifiers
- H335 May cause respiratory irritation66.7% of notifiers
Aggregated from 3 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
39151-19-4SMILES
COc1cc(OC)cc(C(C)=O)c1InChIKey
YJKHOUIVWKQRSL-UHFFFAOYSA-NInChI
InChI=1S/C10H12O3/c1-7(11)8-4-9(12-2)6-10(5-8)13-3/h4-6H,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 3′,5′-Dimethoxyacetophenone
- Ethanone, 1-(3,5-dimethoxyphenyl)-
- Acetophenone, 3′,5′-dimethoxy-
- 1-(3,5-Dimethoxyphenyl)ethanone
- 3,5-Dimethoxyacetophenone
- NSC 46884
- 3,5-Dimethoxy-1-acetylbenzene
- 3,5-Dimethoxyphenyl methyl ketone
Work with 1-(3,5-Dimethoxyphenyl)ethan-1-one
Similar compounds
3-Methoxyacetophenone586-37-867 % similar
Acetanisole100-06-164 % similar
3',4',5'-Trimethoxyacetophenone1136-86-360 % similar
5-Acetyl-1,3-phenylene diacetate35086-59-060 % similar
2',4',6'-Trimethoxyacetophenone832-58-660 % similar
1,1′,1′′-(1,3,5-Benzenetriyl)tris[ethanone]779-90-858 % similar
4-Acetyl-4'-methoxydiphenyl ether54916-28-858 % similar
2-Acetyl-6-methoxynaphthalene3900-45-658 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds