2-(1-Methylethyl)propanedioic acid
Properties
- Molecular formula
- C6H10O4
- Molar mass
- 146.14 g/mol
- Exact mass
- 146.0579 Da
- Melting point
- 130 °C
- logP
- 0.43Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 3
Hazards
Danger
- H301 Toxic if swallowed89.1% of notifiers
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage87% of notifiers
- H319 Causes serious eye irritation13% 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, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
601-79-6SMILES
CC(C)C(C(=O)O)C(=O)OInChIKey
DQEUFPARIOFOAI-UHFFFAOYSA-NInChI
InChI=1S/C6H10O4/c1-3(2)4(5(7)8)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- Propanedioic acid, 2-(1-methylethyl)-
- NSC 120711
- 2-Isopropylmalonic acid
- 2-Propan-2-ylpropanedioic acid
- 2-(Propan-2-yl)propanedioic acid
- Malonic acid, isopropyl-
- Propanedioic acid, (1-methylethyl)-
- Isopropylmalonic acid
- α-Carboxyisovaleric acid
- NSC 1168
Work with 2-(1-Methylethyl)propanedioic acid
Similar compounds
(S)-2-Hydroxy-3-methylbutanoic acid17407-55-557 % similar
(+-)-2-Hydroxyisovaleric acid4026-18-057 % similar
(2S)-2-Chloro-3-methylbutanoic acid26782-74-154 % similar
(2S)-2-Bromo-3-methylbutanoic acid26782-75-254 % similar
DL-Valine516-06-354 % similar
2-Bromo-3-methylbutyric acid565-74-254 % similar
D-Valine640-68-654 % similar
Valine72-18-454 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.