1-Dodecanethiol
Properties
- Molecular formula
- C12H26S
- Molar mass
- 202.40 g/mol
- Exact mass
- 202.1755 Da
- Density
- 0.845 g/mL (at 20 °C)
- Melting point
- −7 °C
- Boiling point
- 142–145 °C (at 15 Torr)
- Water solubility
- < 1 g/L (21.1 °C)
- logP
- 4.84Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 10
Hazards
Danger
- H302 Harmful if swallowed10.4% of notifiers
- H312 Harmful in contact with skin10.4% of notifiers
- H314 Causes severe skin burns and eye damage44.3% of notifiers
- H315 Causes skin irritation26.7% of notifiers
- H317 May cause an allergic skin reaction66.7% of notifiers
- H318 Causes serious eye damage53.3% of notifiers
- H319 Causes serious eye irritation25.9% of notifiers
- H332 Harmful if inhaled10.4% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled16.2% of notifiers
- H335 May cause respiratory irritation25.8% of notifiers
- H400 Very toxic to aquatic life33.4% of notifiers
- H410 Very toxic to aquatic life with long lasting effects46.2% of notifiers
Aggregated from 1,091 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P233, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P363, P391, P403, P403+P233, P405, P501
Identifiers
CAS number
112-55-0SMILES
CCCCCCCCCCCCSInChIKey
WNAHIZMDSQCWRP-UHFFFAOYSA-NInChI
InChI=1S/C12H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
13 names · show all
- Dodecyl mercaptan
- Lauryl mercaptan
- n-Lauryl mercaptan
- n-Dodecanethiol
- n-Dodecyl mercaptan
- 1-Mercaptododecane
- 1-Dodecyl mercaptan
- n-Dodecylthiol
- NSC 814
- 1-Dodecylthiol
- Thiokalcol 20
- NDM
- n-Dodecyl thiolate
Reactions
Work with 1-Dodecanethiol
Similar compounds
1-Hexanethiol111-31-9100 % similar
1-Octanethiol111-88-6100 % similar
1-Decanethiol143-10-2100 % similar
1-Nonanethiol1455-21-6100 % similar
1-Heptanethiol1639-09-4100 % similar
1-Tetradecanethiol2079-95-0100 % similar
1-Octadecanethiol2885-00-9100 % similar
Hexadecanethiol2917-26-2100 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds