1-Tridecanol

C₁₃H₂₈OCAS 112-70-9200.37 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₂₈O
Molar mass: 200.37 g/mol
Exact mass: 200.2140 Da
Density: 0.8223 g/mL (at 31 °C)
Melting point: 32.5 °C
Boiling point: 152 °C (at 14 Torr)
Flash point: 121 °C (open cup)
Water solubility: 100 mg/L (20 °C)
logP: 4.29Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 11

Hazards

Danger

H315 Causes skin irritation13.3% of notifiers
H318 Causes serious eye damage19.9% of notifiers
H319 Causes serious eye irritation12.7% of notifiers
H400 Very toxic to aquatic life72.8% of notifiers
H410 Very toxic to aquatic life with long lasting effects64.5% of notifiers

Aggregated from 2,412 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, P362+P364, P391, P501

Identifiers

CAS number

112-70-9

SMILES

CCCCCCCCCCCCCO

InChIKey

XFRVVPUIAFSTFO-UHFFFAOYSA-N

InChI

InChI=1S/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

5 names

Tridecyl alcohol
n-Tridecyl alcohol
n-Tridecanol
n-Tridecan-1-ol
NSC 5252

Work with 1-Tridecanol

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Hexanol111-27-3100 % similar 1-Heptanol111-70-6100 % similar 1-Octanol111-87-5100 % similar 1-Decanol112-30-1100 % similar Undecanol112-42-5100 % similar Dodecanol112-53-8100 % similar 1-Tetradecanol112-72-1100 % similar Stearyl alcohol112-92-5100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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