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Sulfur and phosphorus compounds

1-Hexanethiol

Also known as Hexane-1-thiol, Hexyl mercaptan, Hexanethiol

CAS 111-31-9Formula C6H14SMolar mass 118.25 g/molEC 203-857-0
GHS signal word: Danger. Pictograms: Flammable, Acute toxicity (severe), Harmful or irritant 10 suppliers listed
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1-Hexanethiol chemical structure, C6H14S, CAS 111-31-9
2D chemical structure

Key facts

What buyers check first

All properties
Physical form
Liquid
Melting point
-80.6 °C
Boiling point
151 °C
Density
Relative density (water = 1): 0.84
Flash point
30 °C
HS code
293090
Category
Sulfur and phosphorus compounds
UN number
UN 1228
Illustrative photo, closed blue jerry cans in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is 1-Hexanethiol?

Plain description, key identifiers and synonyms

1-Hexanethiol is an alkanethiol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
hexane-1-thiol
CAS number
111-31-9 CAS number cross-checked
EC number
203-857-0
Molecular formula
C6H14S
UNII
1KH2129A0Q
MDL number
MFCD00004909
InChIKey
PMBXCGGQNSVESQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
SMILES (canonical and isomeric)
CCCCCCS

Synonyms

  • Hexane-1-thiol
  • Hexyl mercaptan
  • Hexanethiol
  • n-Hexanethiol
  • n-Hexylmercaptan
  • USAF EK-4628
  • Mercaptan C6
  • 4-01-00-01705 (Beilstein Handbook Reference)
  • 1hexanethiol
  • 1Mercaptohexane
  • 1Hexylthiol
  • nHexyl mercaptan
  • n-Hexyl mercaptan
  • 1-Mercaptohexane
  • 1-Hexylthiol
  • Hexylthiol
  • n-Hexylthiol
  • Hexan-1-thiol
  • 1-Hexyl mercaptan
  • hexanthiol
  • 1-Hexanethiol, 95%
  • 1-Hexanethiol, >=95%
  • 1-Hexanethiol, 99% (GC)
  • 1-Hexanethiol, analytical standard
  • Hexanethiol Solution in Methanol, 100ug/mL

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Physical form
Liquidexp.
Melting point
-80.6 °Cexp.
Boiling point
151 °Cexp.
Density
Relative density (water = 1): 0.84exp.
Flash point
30 °Cexp.
Solubility
Solubility in water: noneexp.
Vapour pressure
Vapor pressure, kPa at 40 °C: 0.16exp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
118.25 g/molcalc.
Exact mass
118.0816 Dacalc.
LogP (octanol/water)
2.5calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
4calc.
Heavy atoms
7calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS02: Flammable
Flammable
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H225Highly flammable liquid and vapour.
  • H226Flammable liquid and vapour.
  • H302Harmful if swallowed.
  • H312Harmful in contact with skin.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H331Toxic if inhaled.
  • H332Harmful if inhaled.
  • H335May cause respiratory irritation.
Precautionary statements (30)
  • P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
  • P233Keep container tightly closed.
  • P240Ground and bond container and receiving equipment.
  • P241Use explosion-proof electrical, ventilating and lighting equipment.
  • P242Use non-sparking tools.
  • P243Take action to prevent static discharges.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P303 + P361 + P353If on skin (or hair): Take off immediately all contaminated clothing. Rinse skin with water or shower.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P316Get emergency medical help immediately.
  • P317Get medical help.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P403 + P235Store in a well-ventilated place. Keep cool.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.
UN number
UN 1228
Transport hazard class
3
Packing group
II

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

1-Hexanethiol suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 10 suppliers
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Where suppliers are based

10 suppliers in 3 countries

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1-Hexanethiol price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Functional uses

  • Flavouring and nutrient

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code 1-Hexanethiol is traded under.

HS 2930.90Indicative HS code

Organo-sulphur compounds, other

World exports in 2024
$5.83B
+0.1% vs 2023, imports $5.93B
2019 to 2024
Top exporters
  1. China40.7%
  2. United States10.9%
  3. Japan9.3%
Top importers
  1. United States13.3%
  2. Brazil12.6%
  3. China6.6%
Reported customs values in USD, not prices.Full trade data

The HS code shown for 1-Hexanethiol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 1-Hexanethiol, based on the data on this page

What is 1-Hexanethiol?

1-Hexanethiol is an alkanethiol.

What is the CAS number of 1-Hexanethiol?

The CAS registry number of 1-Hexanethiol is 111-31-9.

What is the molecular formula and weight of 1-Hexanethiol?

The molecular formula of 1-Hexanethiol is C6H14S and its molar mass is 118.25 g/mol.

What is 1-Hexanethiol used for?

Known uses and roles of 1-Hexanethiol include building blocks in research and laboratory and flavouring and nutrient.

Is 1-Hexanethiol hazardous?

1-Hexanethiol carries the GHS signal word "Danger". Main hazards: highly flammable liquid and vapour, flammable liquid and vapour, harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 1-Hexanethiol?

1-Hexanethiol is usually classified under HS code 293090 (Organo-sulphur compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 1-Hexanethiol?

CompoundList lists 10 suppliers of 1-Hexanethiol in China, United States and Germany. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of 1-Hexanethiol?

Suppliers quote 1-Hexanethiol on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle 1-Hexanethiol

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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