2,2-Dimethylhexanoic acid
Properties
- Molecular formula
- C8H16O2
- Molar mass
- 144.21 g/mol
- Exact mass
- 144.1150 Da
- logP
- 2.29Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 4
Hazards
Danger
- H290 May be corrosive to metals11.1% of notifiers
- H314 Causes severe skin burns and eye damage77.8% of notifiers
- H315 Causes skin irritation11.1% of notifiers
- H318 Causes serious eye damage11.1% of notifiers
- H319 Causes serious eye irritation22.2% of notifiers
- H335 May cause respiratory irritation33.3% of notifiers
Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P390, P403+P233, P405, P406, P501
Identifiers
CAS number
813-72-9SMILES
CCCCC(C)(C)C(=O)OInChIKey
YTTWDTVYXAEAJA-UHFFFAOYSA-NInChI
InChI=1S/C8H16O2/c1-4-5-6-8(2,3)7(9)10/h4-6H2,1-3H3,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 2,2-Dimethylhexanoic acid
Similar compounds
2,2-Dimethylnonanoic acid14250-75-085 % similar
2,2-Dimethylpentanoic acid1185-39-377 % similar
2,2,6,6-Tetramethylpimelic acid2941-45-976 % similar
2,2,14,14-Tetramethyl-8-oxopentadecanedioic acid413624-71-259 % similar
2,2-Dimethylbutanoic acid595-37-957 % similar
ETC 1002738606-46-756 % similar
2,2-Dimethylglutaric acid681-57-255 % similar
Dipropylmalonic acid1636-27-752 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.