N-OCTYL MERCAPTAN

n-Octyl Mercaptan is used in the production of anti-wear and extreme-pressure additives for high-performance lubricants due to its sulfur functionality.
n-Octyl Mercaptan acts as a building block for some corrosion-inhibiting formulations.
n-Octyl Mercaptan is used in manufacturing certain surfactants, emulsifiers, and odor-masking agents in industrial formulations.

CAS Number: 111‑88‑6 
EC / EINECS Number: 203‑918‑1 
MDL Number:MFCD00004912
IUPAC name: 1-Octanethiol
Preferred IUPAC name: Octane-1-thiol
Molecular Formula: C8H18S / CH2SH(CH2)6CH3
Molecular Weight: ~146.29 g/mol 

SYNONYMS:
1-Octanethiol, Octane‑1-thiol, 1‑Mercaptooctane, Octylthiol, Octyl Mercaptan, n‑Octanethiol, 1‑Octylthiol, 1-OCTANETHIOL, Octane-1-thiol, 111-88-6, 1-Mercaptooctane, n-Octyl mercaptan, Octyl mercaptan, Octylthiol, 1-Octylthiol, n-Octanethiol, Octylmercaptan, n-Octylthiol, n-Octylmercaptan, 1-Octyl mercaptan, n-Octanethiolate, 42GO2PA46L, DTXSID4026894, NSC-41903, DTXCID506894, CHEBI:188351, NSC-151955, RefChem:435186, 203-918-1, Octanethiol, MFCD00004912, NSC 41903, 94805-33-1, octanthiol, UNII-42GO2PA46L, octane thiol, n-octyl thiol, 1-octylmercaptan, HSDB 5552, Octanethiol-(1), EINECS 203-918-1, n-oct-1-yl mercaptan, AI3-06557, EC 203-918-1, SCHEMBL23406, SCHEMBL54210, 1-OCTANETHIOL [HSDB], SCHEMBL907092, 1-Octanethiol, >=98.5%, SCHEMBL2774858, SCHEMBL7029470, SCHEMBL9159981, SCHEMBL9683809, CHEMBL3182056, SCHEMBL27265434, NSC41903, Tox21_201799, AKOS015897467, MSK002088-100M, NCGC00249120-01, NCGC00259348-01, BP-20994, CAS-111-88-6, LS-13551, DB-021341, NS00005647, O0025, 1-Octanethiol Solution in Methanol, 100ug/mL, EN300-1289003, F099014, Q11883826, InChI=1/C8H18S/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H, IUPAC name: 1-Octanethiol, Preferred IUPAC name: Octane-1-thiol, 1-Mercaptooctane, Octyl mercaptan, n-Octyl mercaptan, Mercaptan C8, N- capryl mercaptan, mercaptan C8, 1- mercaptooctane, 1- octane thiol, octane-1-thiol, 1- octanethiol, N- octanethiol, N- octanethiolate, N- octyl mercaptan, 1- octyl thiol, octylmercaptan, N- octylmercaptan, octylthiol, 1- octylthiol, 1-OCTANETHIOL, NOM, Octanethiol, Octane-1-thiol, N-OCTYL MERCAPTAN, OCTYL MERCAPTAN, NOM(TM), n-Octyl m, Octylthiol, n-Octylthiol, n-Octyl mercaptan, Octane-1-thiol, Octyl mercaptan, Octylthiol, 1-Mercaptooctane, 1-Octylthiol, Octanethiol-(1), n-Octanethiol, n-Octylthiol, 1-Octyl mercaptan, NSC 41903, 1-octanethiol, 1-mercaptooctane, n-octyl mercaptan, octyl mercaptan, octanethiol, octylthiol, 1-octylthiol, n-octanethiol, octylmercaptan, n-octylthiol, 1-mercaptooctane, n-octanethiol, octanethiol, 1-octanethiol, n-octyl mercaptan, octyl mercaptan-1, n-octylthiol, octylthiol, nom(TM), n-octylthiol, n-octanethiol, nom, octylthiol, 1-octylthiol, octanethiol, n-octyl m, nanothinks 8, mercaptan c8, 1-Octanethiol, Octane-1-thiol, 1-Mercaptooctane, Octylthiol, Octyl Mercaptan, n-Octanethiol, 1-Octylthiol

n-Octyl Mercaptan is a colorless to water-white liquid with a strong, characteristic odor.
n-Octyl Mercaptan belongs to the class of alkanethiols, which are sulfur-containing organic compounds with a thiol (-SH) group attached to an alkyl chain.

The molecule of n-Octyl Mercaptan contains an eight-carbon straight chain with a terminal thiol group, giving it both hydrophobic and reactive characteristics.
n-Octyl Mercaptan, also known as 1-octanethiol, is an organic sulfur compound belonging to the thiol family. 

n-Octyl Mercaptan is characterized by a long hydrophobic eight-carbon alkyl chain attached to a reactive sulfhydryl (–SH) group. 
This molecular structure gives the compound a strong, distinctive thiol odor and makes n-Octyl Mercaptan highly effective in various industrial chemical processes. 

n-Octyl Mercaptan is primarily used as a chain-transfer agent in polymer production, where it helps regulate molecular weight and improve processing behavior. 
Beyond polymerization, n-Octyl Mercaptan also serves as an intermediate for specialty chemicals, lubricant additives, and corrosion-inhibiting components. 

Its combination of reactivity, sulfur functionality, and compatibility with organic systems makes n-Octyl Mercaptan a valuable building block in multiple industrial applications.
n-Octyl Mercaptan appears as a clear colorless liquid.

Flash point of n-Octyl Mercaptan is 115 °F.
n-Octyl Mercaptan is insoluble in water and less dense than water.
n-Octyl Mercaptan is used to make other chemicals.

n-Octyl Mercaptan is an alkanethiol that is octane substituted by a thiol group at position 1.
n-Octyl Mercaptan, also called 1-mercaptooctane, is an organic compound.

n-Octyl Mercaptan is an alkanethiol that is octane substituted by a thiol group at position 1.
n-Octyl Mercaptan is a clear, colorless liquid.
n-Octyl Mercaptan is insoluble in water.

USES and APPLICATIONS of N-OCTYL MERCAPTAN:
n-Octyl Mercaptan is primarily used as a chain transfer agent in radical polymerization, which allows control of polymer molecular weight and structure.
n-Octyl Mercaptan is also employed in the synthesis of antioxidants for polymers, especially in stabilizing PVC and other plastics.
Its thiol group makes n-Octyl Mercaptan useful in organic synthesis, where it can introduce functional sulfur groups into molecules.

Industrially, n-Octyl Mercaptan can be incorporated into specialty chemicals, lubricants, and polymer modification processes.
n-Octyl Mercaptan is widely used as a chain transfer agent in polymerization processes—especially in producing ABS, styrene–butadiene, acrylics, butadiene rubber, and other vinyl polymers.

n-Octyl Mercaptan helps control molecular weight, improves processability, and enhances mechanical properties of final polymers.
Chemical Intermediate: n-Octyl Mercaptan serves as an intermediate in synthesizing organic sulfur compounds, specialty chemicals, and surface-active agents.

Lubricant Additives: n-Octyl Mercaptan is used in the production of anti-wear and extreme-pressure additives for high-performance lubricants due to its sulfur functionality.
Corrosion Inhibitors: n-Octyl Mercaptan acts as a building block for some corrosion-inhibiting formulations.

Surfactants & Specialty Chemicals: n-Octyl Mercaptan is used in manufacturing certain surfactants, emulsifiers, and odor-masking agents in industrial formulations.
Metalworking Fluids:  n-Octyl Mercaptan is sometimes incorporated in sulfur-containing lubricant packages designed for metal cutting and forming operations.

Odorant Component (Industrial): Due to n-Octyl Mercaptan's strong thiol odor, small amounts may be used in specific industrial odorant blends (not in consumer applications).
n-Octyl Mercaptan is used as a chain transfer agent in radical polymerization.

n-Octyl Mercaptan is used reactant in the synthesis of antioxidants, especially for tin stabilizers.
n-Octyl Mercaptan is used in polymer modification (e.g., to improve polymer stability or tailor polymer architecture).
n-Octyl Mercaptan is sometimes used in specialty organic synthesis thanks to its thiol (-SH) functionality.

n-Octyl Mercaptan is used to make other chemicals.
n-Octyl Mercaptan is used as an antioxidant intermediate to minimize undesirable effects from process such as the stabilization of tin.
n-Octyl Mercaptan can be used to improve charge injection by creating a monolayer of this material on gold source-drain electrode surfaces for bottom-contact thin-film transistors (TFTs).

BENEFITS & KEY CHARACTERISTICS of N-OCTYL MERCAPTAN:
n-Octyl Mercaptan functional group is highly reactive, which enables the formation of covalent bonds with reactive monomers and polymers.
The n-Octyl Mercaptan chain provides hydrophobic properties, which can improve polymer compatibility or surface properties in final formulations.
n-Octyl Mercaptan helps control polymerization kinetics, reduce unwanted chain branching, and can enhance the thermal and oxidative stability of polymers when used in formulations.

PROPERTIES / BENEFITS
The thiol (mercaptan) group is very reactive, making n-Octyl Mercaptan useful for functionalizing polymers or as a chain-transfer agent.
Because of its relatively long alkyl chain (octyl), n-Octyl Mercaptan can impart hydrophobic character to molecules it’s attached to.
Useful in stabilizing polymers or intermediates — the sulfur group can act in radical or nucleophilic chemistry.

PROPERTIES OF N-OCTYL MERCAPTAN:
Physical and Chemical Properties: 
n-Octyl Mercaptan has a molecular formula of C₈H₁₈S and a molecular weight of approximately 146.29 g/mol.
n-Octyl Mercaptan has a boiling point near 199–200 °C and a melting point around –49 °C.

Its density is about 0.84 g/mL, and n-Octyl Mercaptan has a refractive index of approximately 1.454 at 20 °C.
n-Octyl Mercaptan has a low solubility in water but dissolves readily in organic solvents and hydrocarbons.
n-Octyl Mercaptan has a flash point of roughly 69–71 °C, and exhibits low vapor pressure (~0.3 mbar at 20 °C).

REACTIVITY PROFILE OF N-OCTYL MERCAPTAN:
n-Octyl Mercaptan is incompatible with the following: Oxidizers, reducing agents, strong acids & bases, alkali metals.

PURIFICATION METHODS OF N-OCTYL MERCAPTAN:
Pass n-Octyl Mercaptan through a column of alumina and work under N2, or Ar.
Distil n-Octyl Mercaptan under N2 and a vacuum.
Store n-Octyl Mercaptan under N2, or Ar in the dark.

MARKET OVERVIEW OF N-OCTYL MERCAPTAN:
The n-Octyl Mercaptan Market was estimated at USD 45 million in 2024, and forecasts indicate a robust 5.2% CAGR from 2026-2033, with the market expected to reach USD 71.02 Million by 2033.
n-Octyl Mercaptan is a colorless to yellow liquid with a strong, sulfurous odor.
n-Octyl Mercaptan is used as a chemical intermediate and in the manufacture of various chemicals.

CHEMICAL PROPERTIES OF N-OCTYL MERCAPTAN:
n-Octyl Mercaptan is colourless liquid
n-Octyl Mercaptan can be used to improve charge injection by creating a monolayer of this material on gold source-drain electrode surfaces for bottom-contact thin-film transistors (TFTs).

n-Octyl Mercaptan can be used as a sulfur precursor for the preparation of shell for CdSe/CdS quantum dots.
n-Octyl Mercaptan forms ligands that help in enhancing the power efficiency of hetero-junction nanorod sensitized solar cells as it enhances the electron extraction from the nanorod and TiO2 interface.

n-Octyl Mercaptan is based stabilized coating on copper nanoparticles (CuNPs) may be used in the dispersion of these colloidal particles in different sample solutions.
n-Octyl Mercaptan can be used to improve charge injection by creating a monolayer on gold source-drain electrode surfaces for bottom-contact thin-film transistors (TFTs).

PHYSICAL and CHEMICAL PROPERTIES of N-OCTYL MERCAPTAN:
CAS Number: 111‑88‑6
EC / EINECS Number: 203‑918‑1
Molecular Formula: C8H18S
Molecular Weight: ~146.29 g/mol
Appearance: Colorless to water‑white liquid with a pungent odor
Boiling Point: ~199–200 °C
Melting / Freezing Point: ~–49 °C (reported by Arkema)
Flash Point: ~69–71 °C (closed cup) according to SDS
Density: ~0.84 g/mL (at ~20 °C) per multiple sources
Vapor Pressure: According to Arkema, ~0.3 mbar at 20 °C

Refractive Index: ~1.454 (at 20 °C) per Arkema data
Solubility: Negligible in water; slightly soluble in light alcohols; soluble in many hydrocarbons
Partition Coefficient (log P): According to Chemeo: ~3.277
Molecular Weight: 146.30 g/mol
XLogP3: 4.4
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 1
Rotatable Bond Count: 6
Exact Mass: 146.11292175 Da
Monoisotopic Mass: 146.11292175 Da

Topological Polar Surface Area: 1 Ų
Heavy Atom Count: 9
Formal Charge: 0
Complexity: 43.8
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1

Compound Is Canonicalized: Yes
Chemical formula: C8H18S
Molar mass: 146.29 g·mol−1
Density: 0.843 g/mL
Melting point: −49 °C (−56 °F; 224 K)
Boiling point: 197–200 °C (387–392 °F; 470–473 K)
ECHA EINECS - REACH Pre-Reg: 203-918-1
FDA UNII: 42GO2PA46L
Nikkaji Web: J5.116K

Beilstein Number: 1733101
MDL: MFCD00004912
XlogP3: 4.40 (est)
Molecular Weight: 146.29646000
Formula: C8 H18 S
Appearance: colorless clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity: 0.84300 to 0.84700 @ 20.00 °C

Refractive Index: 1.45200 to 1.45600 @ 20.00 °C
Boiling Point: 199.00 to 200.00 °C @ 760.00 mm Hg
Vapor Pressure: 0.494000 mmHg @ 25.00 °C (est)
Flash Point: 154.00 °F TCC (67.78 °C)
logP (o/w): 4.499 (est)
Soluble in: alcohol, water 19.84 mg/L @ 25 °C (est)
CBNumber: CB6852856
Molecular Formula: C8H18S
Molecular Weight: 146.29

MDL Number: MFCD00004912
MOL File: 111-88-6.mol
Melting point: -49 °C
Boiling point: 197-200 °C (lit.)
Density: 0.843 g/mL at 25 °C (lit.)
Vapor pressure: 0.3 hPa (20 °C)
Refractive index: n20/D 1.452 (lit.)
Flash point: 55 °F
Storage temp.: Store below +30°C
Solubility: 0.004 g/L

Form: Liquid
pKa: 10.55 ±0.10 (Predicted)
Color: Clear colorless
Specific Gravity: 0.843 (20/4 ℃)
Odor: at 0.10% in dipropylene glycol, sulfurous
Odor Threshold: 0.0016 ppm
Water Solubility: Not miscible in water
BRN: 1733101
Exposure limits: NIOSH: Ceiling 0.5 ppm (3.0 mg/m³)
Stability: Stable. Incompatible with strong acids, strong oxidizing agents, alkali metals

LogP: 4.21 at 20℃
CAS DataBase Reference: 111-88-6 (CAS DataBase Reference)
FDA UNII: 42GO2PA46L
NIST Chemistry Reference: 1-Octanethiol (111-88-6)
EPA Substance Registry System: 1-Octanethiol (111-88-6)
UNSPSC Code: 12352105
NACRES: NA.23
Density (20°C): 840 kg/m³
Viscosity (20 °C): 1.33 mPa·s (cP)
Boiling point: 199 °C
Melting point: -49 °C

Decomposition temperature: 400 °C
Flash point (closed cup): 70 °C
Vapour pressure (20°C): 0.3 mbar (hPa)
Vapour pressure (90°C): 17 mbar (hPa)
Refractive index (20°C): 1.454
MDL Number: MFCD00004912
UN Number: 3082
InChI Key: KZCOBXFFBQJQHH-UHFFFAOYSA-N

IUPAC Name: octane-1-thiol
PubChem CID: 8144
Percent Purity: ≥98.0% (GC)
Chemical Name or Material: 1-Octanethiol
SMILES: CCCCCCCCS
Molecular Weight: 146.29 g/mol
Formula Weight: 146.29 g/mol
Physical Form: Liquid
Color: Yellow
Molecular Formula: C8H18S

Appearance Form: liquid
Odour: No data available
Odour Threshold: No data available
pH: No data available
Melting point/freezing point: No data available
Initial boiling point and boiling range: 197-200 °C
Flash point: 70 °C (158 °F) - c.c.
Evaporation rate: No data available
Flammability (solid, gas): No data available

Upper/lower flammability or explosive limits: No data available
Vapour pressure: No data available
Vapour density: No data available
Relative density: 0.843 g/cm3 at 25 °C
Water solubility: No data available
Partition coefficient (n-octanol/water): No data available
Auto-ignition temperature: No data available
Decomposition temperature: No data available

Viscosity: No data available
Explosive properties: No data available
Oxidizing properties: No data available
Other safety information: No data available
CAS Number: 111-88-6
Formula: C8H18S; 146.30 g/mol
InChIKey: KZCOBXFFBQJQHH-UHFFFAOYSA-N
SMILES: CCCCCCCCS

Density: 0.843 g/mL
Molar volume: 173.6 mL/mol
Refractive index: 1.454
Molecular refractive power: 46.98 mL/mol
Dipole moment: 1.53 D
Melting point: -49 °C
Boiling point: 195 °C
Surface tension: 27.86 dyn/cm

FIRST AID MEASURES of N-OCTYL MERCAPTAN:
-Description of first-aid measures
*General advice:
Show this material safety data sheet to the doctor in attendance.
*If inhaled:
After inhalation: 
Fresh air.
*In case of skin contact: 
Take off immediately all contaminated clothing. 
Rinse skin with
water/ shower.
*In case of eye contact:
After eye contact: 
Rinse out with plenty of water. 
Call in ophthalmologist. 
Remove contact lenses.
*If swallowed:
After swallowing: 
Immediately make victim drink water (two glasses at most). 
Consult a physician.
-Indication of any immediate medical attention and special treatment needed.
No data available

ACCIDENTAL RELEASE MEASURES of N-OCTYL MERCAPTAN:
-Environmental precautions:
Do not let product enter drains.
-Methods and materials for containment and cleaning up:
Cover drains. 
Collect, bind, and pump off spills. 
Observe possible material restrictions. 
Take up dry. 
Dispose of properly. 
Clean up affected area.

FIRE FIGHTING MEASURES of N-OCTYL MERCAPTAN:
-Extinguishing media:
*Suitable extinguishing media:
Carbon dioxide (CO2) 
Foam 
Dry powder
*Unsuitable extinguishing media:
For this substance/mixture no limitations of extinguishing agents are given.
-Further information:
Prevent fire extinguishing water from contaminating surface water or the ground water system.

EXPOSURE CONTROLS/PERSONAL PROTECTION of N-OCTYL MERCAPTAN:
-Control parameters:
--Ingredients with workplace control parameters:
-Exposure controls:
--Personal protective equipment:
*Eye/face protection:
Use equipment for eye protection. 
Safety glasses
*Body Protection:
protective clothing
*Respiratory protection:
Recommended Filter type: Filter A 
-Control of environmental exposure:
Do not let product enter drains.

HANDLING and STORAGE of N-OCTYL MERCAPTAN:
-Conditions for safe storage, including any incompatibilities:
*Storage conditions:
Tightly closed. 
Dry.

STABILITY and REACTIVITY of N-OCTYL MERCAPTAN:
-Chemical stability:
The product is chemically stable under standard ambient conditions (room temperature).
-Possibility of hazardous reactions:
No data available