3,3-Dimethylglutaric acid
Properties
- Molecular formula
- C7H12O4
- Molar mass
- 160.17 g/mol
- Exact mass
- 160.0736 Da
- Melting point
- 103.5 °C
- Boiling point
- 114–115 °C (at 1 Torr)
- logP
- 0.96Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation95.8% of notifiers
- H319 Causes serious eye irritation95.8% of notifiers
- H335 May cause respiratory irritation91.7% of notifiers
Aggregated from 48 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
4839-46-7SMILES
CC(C)(CC(=O)O)CC(=O)OInChIKey
DUHQIGLHYXLKAE-UHFFFAOYSA-NInChI
InChI=1S/C7H12O4/c1-7(2,3-5(8)9)4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Pentanedioic acid, 3,3-dimethyl-
- Glutaric acid, 3,3-dimethyl-
- Glutaric acid, β,β-dimethyl-
- 3,3-Dimethylpentanedioic acid
- β,β-Dimethylglutaric acid
- NSC 14987
- NSC 49114
Reactions
Work with 3,3-Dimethylglutaric acid
Similar compounds
3,3-Dimethylbutanoic acid1070-83-364 % similar
3-Hydroxy-3-methylglutaric acid503-49-158 % similar
3-Hydroxyisovaleric acid625-08-158 % similar
3-Ethyl-3-methylpentanedioic acid5345-01-754 % similar
2,2-Dimethylsuccinic acid597-43-354 % similar
3,3,3-Trifluoropropionic acid2516-99-652 % similar
(R)-(-)-Citramalic acid6236-10-850 % similar
3-Hydroxy-3-methyl-4,4,4-trifluorobutyric acid338-03-448 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.