chempirical

Dodecane

C12H26CAS 112-40-3170.34 g/mol

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Properties

Molecular formula
C12H26
Molar mass
170.34 g/mol
Exact mass
170.2035 Da
Density
0.7487 g/mL (at 20 °C)
Melting point
−9.6 °C
Boiling point
216.3 °C
Flash point
73.9 °C (closed cup)
Water solubility
< 1 g/L (25 °C)
logP
4.93Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
9

Hazards

Danger
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 1,042 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P301+P316, P305+P351+P338, P331, P337+P317, P405, P501

Identifiers

CAS number
112-40-3
SMILES
CCCCCCCCCCCC
InChIKey
SNRUBQQJIBEYMU-UHFFFAOYSA-N
InChI
InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3

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Names and synonyms

8 names
  • n-Dodecane
  • Adakane 12
  • Ba 51-090453
  • C12-n-Alkane
  • NSC 8714
  • Cactus normal paraffin N 12D
  • Parafol C12-97
  • Parafol 12-97

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 112-40-3. Each row opens the sheet with its composition and PDF.

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Work with Dodecane

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

Octane111-65-9100 % similar Nonane111-84-2100 % similar Icosane112-95-8100 % similar Undecane1120-21-4100 % similar Decane124-18-5100 % similar Tetratriacontane14167-59-0100 % similar Heptane142-82-5100 % similar Tetracontane4181-95-7100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,2,4,6,6-Pentamethylheptane13475-82-6 Isododecane31807-55-3 2,2,4,4,6-Pentamethylheptane62199-62-6 2-Methylundecane7045-71-8

Elsewhere

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