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Sulfur and phosphorus compounds

S-Methyl hexanethioate

Also known as S-Methyl thiohexanoate, Methanethiol caproate, Hexanethioic acid, S-methyl ester

CAS 20756-86-9Formula C7H14OSMolar mass 146.26 g/molEC 219-410-8
GHS signal word: Danger. Pictograms: Flammable, Harmful or irritant 3 suppliers listed
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S-Methyl hexanethioate chemical structure, C7H14OS, CAS 20756-86-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
20756-86-9
Formula
C7H14OS
Molar mass
146.26 g/mol
Physical form
Liquid
HS code
293090
Category
Sulfur and phosphorus compounds
Illustrative photo, 200 litre steel drums of liquid in a chemical plant
Typical packagingIllustrative packaging image, not the actual product

What is S-Methyl hexanethioate?

Plain description, key identifiers and synonyms

S-Methyl hexanethioate is a thioester.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
S-methyl hexanethioate
CAS number
20756-86-9Other or deprecated CAS: 2432-77-1
EC numbers
219-410-8, 826-546-7
Molecular formula
C7H14OS
UNII
MC7G128ACI
MDL number
MFCD03426527
InChIKey
AKGAHYLJHAOPKQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H14OS/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
SMILES (canonical and isomeric)
CCCCCC(=O)SC

Synonyms

  • S-Methyl thiohexanoate
  • Methanethiol caproate
  • Hexanethioic acid, S-methyl ester
  • 1-(Methylsulfanyl)hexan-1-one
  • methyl thiohexanoate
  • S-Methyl hexanethioate #
  • QRL
  • methylhexanethioate
  • S-methyl thiocaproate
  • methyl thiohexanoate, AldrichCPR

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.

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
146.26 g/molcalc.
Exact mass
146.0765 Dacalc.
LogP (octanol/water)
2.46calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
4calc.
Heavy atoms
9calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.86calc.
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
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H225Highly flammable liquid and vapour.
  • H226Flammable liquid and vapour.
  • H302Harmful if swallowed.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
Precautionary statements (22)
  • 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.
  • 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.
  • 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.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • 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 + P235Store in a well-ventilated place. Keep cool.
  • P501Dispose of contents and container in accordance with local regulations.

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

S-Methyl hexanethioate suppliers

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

All 3 suppliers

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Where suppliers are based

3 suppliers in 2 countries

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S-Methyl hexanethioate 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 S-Methyl hexanethioate 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 S-Methyl hexanethioate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about S-Methyl hexanethioate, based on the data on this page

What is S-Methyl hexanethioate?

S-Methyl hexanethioate is a thioester.

What is the CAS number of S-Methyl hexanethioate?

The CAS registry number of S-Methyl hexanethioate is 20756-86-9. Other or deprecated CAS numbers: 2432-77-1.

What is the molecular formula and weight of S-Methyl hexanethioate?

The molecular formula of S-Methyl hexanethioate is C7H14OS and its molar mass is 146.26 g/mol.

What is S-Methyl hexanethioate used for?

Known uses and roles of S-Methyl hexanethioate include building blocks in research and laboratory and flavouring and nutrient.

Is S-Methyl hexanethioate hazardous?

S-Methyl hexanethioate 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 S-Methyl hexanethioate?

S-Methyl hexanethioate 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 S-Methyl hexanethioate?

CompoundList lists 3 suppliers of S-Methyl hexanethioate in United Kingdom and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of S-Methyl hexanethioate?

Suppliers quote S-Methyl hexanethioate 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 S-Methyl hexanethioate

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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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