3-Methylglutaric acid
Properties
- Molecular formula
- C6H10O4
- Molar mass
- 146.14 g/mol
- Exact mass
- 146.0579 Da
- Density
- 1.1168 g/mL (at 20 °C)
- Melting point
- 87 °C
- Boiling point
- 165–167 °C (at 0.5 Torr)
- logP
- 0.57Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 46 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
626-51-7SMILES
CC(CC(=O)O)CC(=O)OInChIKey
XJMMNTGIMDZPMU-UHFFFAOYSA-NInChI
InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Pentanedioic acid, 3-methyl-
- Glutaric acid, 3-methyl-
- Glutaric acid, β-methyl-
- 3-Methylpentanedioic acid
- β-Methylglutaric acid
- NSC 14870
Reactions
Work with 3-Methylglutaric acid
Similar compounds
3-Methylpentanoic acid105-43-174 % similar
(S)-3-Methyl-pentanoic acid1730-92-374 % similar
(+-)-3-Methyladipic acid3058-01-371 % similar
3,5,5-Trimethylhexanoic acid3302-10-165 % similar
3-Methylbutanoic acid503-74-264 % similar
3-Methyl-heptanoic acid53663-30-263 % similar
Beta-hydroxybutyric acid300-85-658 % similar
L-3-Hydroxybutyric acid6168-83-858 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.