2-Methyloctane
Properties
- Molecular formula
- C9H20
- Molar mass
- 128.26 g/mol
- Exact mass
- 128.1565 Da
- Density
- 0.7107 g/mL (at 20.1 °C)
- Melting point
- −80.3 °C
- Boiling point
- 143.2 °C
- logP
- 3.61Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 5
Hazards
Danger
- H226 Flammable liquid and vapor100% of notifiers
- H304 May be fatal if swallowed and enters airways15.2% of notifiers
- H315 Causes skin irritation13% of notifiers
- H319 Causes serious eye irritation13% of notifiers
- H335 May cause respiratory irritation13% of notifiers
- H336 May cause drowsiness or dizziness13% of notifiers
- H400 Very toxic to aquatic life13% of notifiers
- H410 Very toxic to aquatic life with long lasting effects13% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
3221-61-2SMILES
CCCCCCC(C)CInChIKey
ZUBZATZOEPUUQF-UHFFFAOYSA-NInChI
InChI=1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
2 names
- Octane, 2-methyl-
- NSC 23695
Work with 2-Methyloctane
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
Similar compounds
Isododecane31807-55-3100 % similar
2-Methyldecane6975-98-0100 % similar
2-Methylundecane7045-71-8100 % similar
2-Methylnonane871-83-0100 % similar
2-Methylheptane592-27-894 % similar
2-Methylhexane31394-54-478 % similar
2-Methylhexane591-76-478 % similar
2,7-Dimethyloctane1072-16-865 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.