2,2,6,6-Tetramethyl-3,5-heptanedione
Properties
- Molecular formula
- C11H20O2
- Molar mass
- 184.28 g/mol
- Exact mass
- 184.1463 Da
- Density
- 0.883 g/mL (at 25 °C)
- Melting point
- above 400 °C (decomposes)
- Boiling point
- 96–97 °C (at 20 Torr)
- logP
- 2.61Crippen estimate
- Polar surface area
- 34.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed91.3% of notifiers
- H315 Causes skin irritation13% of notifiers
- H319 Causes serious eye irritation13% of notifiers
- H335 May cause respiratory irritation13% of notifiers
Aggregated from 46 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
1118-71-4SMILES
CC(C)(C)C(=O)CC(=O)C(C)(C)CInChIKey
YRAJNWYBUCUFBD-UHFFFAOYSA-NInChI
InChI=1S/C11H20O2/c1-10(2,3)8(12)7-9(13)11(4,5)6/h7H2,1-6H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- 3,5-Heptanedione, 2,2,6,6-tetramethyl-
- Dipivaloylmethane
- NSC 174296
- 1,3-Di-tert-butyl-1,3-propanedione
- 1,3-(tert-Butyl)-1,3-propanedione
Work with 2,2,6,6-Tetramethyl-3,5-heptanedione
Similar compounds
1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione22767-90-470 % similar
Methyl 4,4-dimethyl-3-oxopentanoate55107-14-757 % similar
1-Chloropinacolone13547-70-155 % similar
Bromopinacolone5469-26-155 % similar
1-Amino-3,3-dimethylbutan-2-one82962-91-255 % similar
6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyl-3,5-octanedione17587-22-354 % similar
2,2-Dimethyl-3-hexanone5405-79-852 % similar
Ethyl pivaloylacetate17094-34-752 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.