HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Decanethiol
decanethiol · decylthiol · decane-1-thiol · N-DECYL MERCAPTAN · 1-decylthiol · MERCAPTAN C10 · 1-DECANETHIOL · Decan-1-thiol
Identifiers & Physical Properties
| CAS No. | 143-10-2 |
|---|---|
| Molecular formula | CH3(CH2)9SH |
| Average molar mass | 174.35 g/mol |
| Monoisotopic mass | 174.1442217 g/mol |
| SMILES | CCCCCCCCCCS |
| InChIKey | VTXVGVNLYGSIAR-UHFFFAOYSA-N |
| PubChem CID | 8917 |
| EC No. | 205-584-2 |
| DTXSID | DTXSID7059727 |
Chemical & Physical Properties
| XLogP | 5.5 |
|---|---|
| Topological polar surface area | 1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 8 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 61.9 |
| Chemical classes | Other Classes -> ThiolsFlammable agents - 2nd degree |
| Drugs | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Boiling point |
| Density | 0.84 (NIOSH, 2024) - Less dense than waterwill floatRelative density (water = 1): 0.840.824 g/mL at 25 °C (lit.) |
| Solubility | Insoluble (NIOSH, 2024)Solubility in water: noneInsoluble in water. |
| Flash point | 209 °F (NIOSH, 2024)98 °C |
| Boiling point | 465 °F at 760 mmHg (NIOSH, 2024)241 °C114 °C/13 mmHg (lit.) |
| Melting point | -15 °F (NIOSH, 2024)-26 °C-26 °C (lit.) |
| Vapor density | Relative vapor density (air = 1): 6.0 |
| Vapor pressure | 0.03 [mmHg]Vapor pressure, Pa at 20 °C: |
| Physical Description | 1-decanethiol is a colorless liquid with a strong odor.Colorless liquid with a strong odor[NIOSH]COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.Colorless liquid with a strong odor. |
| Refractive index | n20/D 1.458(lit.) |
| Storage conditions | 2-8°C |
| pKa (acidity coefficient) | 10.50±0.10(Predicted) |
| Physical state | clear liquid |
| Color | Colorless to Almost colorless |
| Specific gravity | 0.841 |
| Specific heat capacity | Cp(liquid): 2.01 J/(g·K), at 25℃ |
| Sensitivity | Air Sensitive/Stench |
| BRN | 1735223 |
| Henry's law constant | 5.0×10-4 mol/(m3Pa) at 25℃, Yaws et al. (2003) |
| Exposure limits | NIOSH: Ceiling 0.5 ppm(3.6 mg/m3) |
| InChI | 1S/C10H22S/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3 |
| InChIKey | VTXVGVNLYGSIAR-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCS |
| LogP (partition coefficient) | 5.518 (est) |
| CAS DataBase Reference | 143-10-2(CAS DataBase Reference) |
| FDA UNII | A2H8YRB236 |
| NIST Chemistry Reference | 1-Decanethiol(143-10-2) |
| EPA Substance Registry System | 1-Decanethiol (143-10-2) |
| UNSPSC Code | 12352103 |
| NACRES | NA.23 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36 |
| Occupational exposure limit (OEL) | Ceiling: 0.5 ppm (3.6 mg/m3) [15-minute] |
| UN transport number | UN 3334 |
| Water hazard class (WGK) | 3 |
| F | 13 |
| Hazard Note | Irritant/Stench/Air Sensitive |
| TSCA inventory status | TSCA listed |
| Customs code | 29309090 |
| Storage class | 10 - Combustible liquids |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 1.9% (1 of 54) of reports.DangerH314 (14.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 54 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | 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 label | Flammable Liquid Poison |
| Fire hazards | Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:Combustible. Above 98 °C explosive vapour/air mixtures may be formed. |
| Health hazards | Excerpt from NIOSH Pocket Guide for 1-Decanethiol: |
| Hazards summary | See THIOLS |
| DOT ID and guide | 1228 131 |
| Reactive group | Sulfides, Organic |
| Reactivity Profile | 1-DECANETHIOL is incompatible with oxidizing agents, strong acids and bases, alkali metals, and nitric acid. May react with water, steam or acids to produce toxic and flammable vapors. Reacts violently with strong oxidizing agents such as calcium hypochlorite(Ca(OCl)2) forming toxic fumes of SOx. Will react with hydrides to form flammable H2 gas. May react with halogenated hydrocarbons to yield hydrogen halides. Reacts exothermically with aldehydes. May mit highly toxic fumes of SO when heated to decomposition. |
| Chemical Dangers | Decomposes on burning. This produces toxic gases including sulfur dioxide (see ICSC 0074). Reacts with strong bases and strong oxidants. |
| Flammable Limits | Class IIIB Combustible Liquid: Fl.P. at or above 200 °F. |
| Air and Water Reactions | No rapid reaction with air. No rapid reaction with water. |
| Hazard Classes and Categories | Skin Corr. 1C (14.8%)Flammable agents - 2nd degree |
| Fire fighting | Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:Use foam, carbon dioxide, powder. |
| First aid measures | Fresh air, rest.Remove contaminated clothes. Rinse and then wash skin with water and soap.First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Give one or two glasses of water to drink. Refer for medical attention . |
| First aid | Excerpt from NIOSH Pocket Guide for 1-Decanethiol:(General first aid procedures) |
| Safe storage | Separated from strong oxidants and strong bases. |
| Nonfire spill response | Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]: |
| Spillage disposal | Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. |
| Isolation and Evacuation | Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]: |
| Eye Prevention | Wear safety goggles or eye protection in combination with breathing protection. |
| Fire Prevention | NO open flames, NO sparks and NO smoking. Above 98 °C use a closed system, ventilation and explosion-proof electrical equipment. |
| Inhalation Risk | No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C. |
| Skin Prevention | Protective gloves. |
| Ingestion Prevention | Do not eat, drink, or smoke during work. |
| Target organs | Eyes, skin, respiratory system, central nervous systemRespiratory system |
| Adverse effects | Other Poison - Chemical Asphyxiant |
| Exposure routes | The substance can be absorbed into the body by inhalation of its aerosol and by ingestion.inhalation, skin absorption, ingestion, skin and/or eye contact |
| Signs and Symptoms | Dizziness. Headache. Nausea.Severe deep burns. Pain.Nausea. Vomiting. Dizziness. Drowsiness. Headache. Weakness.irritation eyes, skin, respiratory systemconfusion, dizziness, headache, drowsiness, nausea, vomiting, lassitude (weakness, exhaustion), convulsions |
| F | 13 |
| Occupational exposure limit (OEL) | Ceiling: 0.5 ppm (3.6 mg/m3) [15-minute] |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| UN transport number | UN 3334 |
| Customs code | 29309090 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| hazard_note | Irritant/Stench/Air Sensitive |
| Safety statements (S) | 26-36 |
| Storage class | 10 - Combustible liquids |
| GHS hazard statements | H315-H319-H335 |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
1-Decanethiol is used to improve charge injection by creating a monolayer of this material on gold source-drain electrode surfaces for field-effect transistors (FETs). It is also used in the study of self-assembled monolayers.
General Description
1-Decanethiol is an alkanethiol that forms a self-assembled monolayer(SAM) and it can be coated as a protective coating on a variety of substrates.