Valproic acid
Properties
- Molecular formula
- C8H16O2
- Molar mass
- 144.21 g/mol
- Exact mass
- 144.1150 Da
- Density
- 0.904 g/mL (at 25 °C)
- Melting point
- 25 °C
- Boiling point
- 221–222 °C
- pKa
- 4.6
- Flash point
- 111.1 °C
- Water solubility
- < 1 g/L (22.2 °C)
- logP
- 2.29Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 5
Hazards
Danger
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation92.9% of notifiers
- H318 Causes serious eye damage12.7% of notifiers
- H319 Causes serious eye irritation80.2% of notifiers
- H335 May cause respiratory irritation31.7% of notifiers
- H360 May damage fertility or the unborn child64.3% of notifiers
Aggregated from 126 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
99-66-1SMILES
CCCC(CCC)C(=O)OInChIKey
NIJJYAXOARWZEE-UHFFFAOYSA-NInChI
InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
19 names · show all
- Pentanoic acid, 2-propyl-
- Valeric acid, 2-propyl-
- 2-Propylpentanoic acid
- Acetic acid, dipropyl-
- Dipropylacetic acid
- 2-Propylvaleric acid
- n-Dipropylacetic acid
- DPA
- 4-Heptanecarboxylic acid
- Depakine
- Ergenyl
- Mylproin
- 44089
- NSC 93819
- Depakine-chrono
- Stavzor
- 2,2-Di-n-propylacetic acid
- Valcote
- Sigma V 0033000
Work with Valproic acid
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
(1s,4r)-4-Propylcyclohexane-1-carboxylic acid38289-27-976 % similar
2-Hexyldecanoic acid25354-97-669 % similar
(Trans,trans)-4′-Propyl[1,1′-bicyclohexyl]-4-carboxylic acid65355-32-068 % similar
1,4-Cyclohexanedicarboxylic acid1076-97-767 % similar
Cyclopropanecarboxylic acid1759-53-167 % similar
1,4-Cyclohexanedicarboxylic acid619-81-867 % similar
trans-1,4-Cyclohexanedicarboxylic acid619-82-967 % similar
D-Norvaline2013-12-965 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.