Basic information
- CAS
17322-94-0- Standard SMILES
CCCCCCCCCCCCCCCCCCS- InChIKey
QJAOYSPHSNGHNC-UHFFFAOYSA-N- Molecular formula
- C18H38S
- Average molar mass
- 286.6 g/mol
- Monoisotopic mass
- 286.26942222
Overview
1-octadecanethiol appears as white powder with an extremely unpleasant smell. May be harmful by ingestion, inhalation or through skin contact. Eye, skin and respiratory irritant.
Names & identifiers
- Preferred name
- 1-Octadecanethiol
- IUPAC
- octadecane-1-thiol
- English name
- Octadecanethiol
- Molecular formula
- C18H38S
- Molecular weight
- 286.56
Names & synonyms
1-OCTADECANETHIOL2885-00-9Stearyl mercaptann-Octadecyl mercaptanOctadecyl mercaptan1-Mercaptooctadecanen-octadecanethioloctadecylthiol1-Octadecyl mercaptanNSC 5545DTXSID0062686RefChem:76749
Show more names
MercaptanODMMERCAPTAN C18
DTXCID8037887220-744-1octadecane-1-thiolOctadecanethiolOCTADECANTHIOLMFCD00004886NSC-554517322-94-0
Database identifiers
- CAS
17322-94-0、2885-00-9- PubChem CID
- 17905
- DTXSID
DTXSID0062686- UNII
- 3V2V92U86E
- EC Number
- 220-744-1
- Nikkaji
- J97.163D
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 16
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 145
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Thiols
LogP9.12 (estimated)
Density
0.85 (NIOSH, 2024) - Less dense than water; will float
Relative density (water = 1): 0.85
0.85
Solubility
Insoluble (NIOSH, 2024)
Solubility in water: none
Insoluble
Flash Point
185 °C
185 °C c.c.
Decomposition366 °C
Melting Point
77 °F (NIOSH, 2024)
24-31 °C
77 °F
Physical Description
1-octadecanethiol appears as white powder with an extremely unpleasant smell. May be harmful by ingestion, inhalation or through skin contact. Eye, skin and respiratory irritant.
Greasy, white semi-solid with a disagreeable, offensive odor; [CHEMINFO]
OILY WHITE SOLID IN VARIOUS FORMS WITH CHARACTERISTIC ODOUR.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (87.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 140 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1-Octadecanethiol
Status: Active Update: 09-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23603
1-Octadecanethiol: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelFlammable Liquid Poison
Fire Hazards
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
Health HazardsExcerpt from NIOSH Pocket Guide for 1-Octadecanethiol:
Hazards SummarySymptoms of overexposure include weakness, cyanosis, and convulsions; [CAMEO] See THIOLS;
DOT ID and Guide1228 131(liquid)
Reactive GroupSulfides, Organic
Chemistry & industry
Uses & manufacturing
Uses1-Octadecanethiol is used in chemical organic synthesis; in synthetic rubber processing, and in tarnish-preventing agents; [CHEMINFO]
Household ProductsInformation on 3 consumer products that contain Octadecyl mercaptan in the following categories is provided:
General Manufacturing Information1-Octadecanethiol: ACTIVE
Applications
UsesOrganic intermediate, synthetic rubber processing.
Uses1-Octadecanethiol (ODT) is used to deposit thiolated molecules onto the surface of gold substrates, such as SAMs on gold quartz crystal resonators, on the tip of atomic force microscope probes, capacitive sensors.
UsesODT is used in the surface modification of gold nanoparticle (AuNPs)/Nickel (Ni) foam conjugate for the preparation of a 3D surface enhanced Raman spectroscopy(SERS) substrate for the detection of organic pollutants. It may also be used enhance the superhydrophobic properties for different materials like nano-sized copper films, graphene and silica for different applications like mercury detection and electrochemical analysis.
General Description1-Octadecanethiol (ODT) is a water soluble sulfur compound with an 18 carbon alkyl chain, which forms a strong hydrophobic assembly with transition metals, like gold .It forms self-assembled monolayers (SAMs) on the surface of such transition metals. The thiol membrane when covalently bonded with the surface of the metal electrode, it shows electrostriction phenomenon leading to variation in capacitance.ODT SAMs have a hydrophobic surface with contact angle of 102oC.
Upstream & downstream products
Downstream products
Related reactions
27 records
Compound notes
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