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Sulfur and phosphorus compounds

3-Pentanethiol

Also known as 3-Pentyl mercaptan, Pentane-3-thiol, 1-Ethylpropyl hydrosulfide

CAS 616-31-9Formula C5H12SMolar mass 104.22 g/molEC 210-476-3
GHS signal word: Danger. Pictograms: Flammable, Acute toxicity (severe), Harmful or irritant 1 supplier listed
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3-Pentanethiol chemical structure, C5H12S, CAS 616-31-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
616-31-9
Formula
C5H12S
Molar mass
104.22 g/mol
Physical form
Liquid
HS code
293090
Category
Sulfur and phosphorus compounds
Illustrative photo, closed amber glass reagent bottles on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is 3-Pentanethiol?

Plain description, key identifiers and synonyms

3-Pentanethiol is a chemical substance with the molecular formula C5H12S and a molar mass of 104.22 g/mol. Its CAS registry number is 616-31-9. The IUPAC name is pentane-3-thiol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
pentane-3-thiol
CAS number
616-31-9 CAS number cross-checked
EC number
210-476-3
Molecular formula
C5H12S
UNII
43Q9692OIT
MDL number
MFCD11193802
InChIKey
WICKAMSPKJXSGN-UHFFFAOYSA-N
InChI
InChI=1S/C5H12S/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3
SMILES (canonical and isomeric)
CCC(CC)S

Synonyms

  • 3-Pentyl mercaptan
  • Pentane-3-thiol
  • 1-Ethylpropyl hydrosulfide
  • 1-Ethylpropyl hydrosulfide #

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
104.22 g/molcalc.
Exact mass
104.066 Dacalc.
LogP (octanol/water)
2.1calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
2calc.
Heavy atoms
6calc.
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.
  • H302Harmful if swallowed.
  • H331Toxic if inhaled.
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.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • 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.
  • 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.
  • P316Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • 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.

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

3-Pentanethiol suppliers

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Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

1 supplier in 1 country

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3-Pentanethiol price

Indicative price range per kg from live supplier offers

No published prices right now

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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

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code 3-Pentanethiol 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 3-Pentanethiol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 3-Pentanethiol, based on the data on this page

What is 3-Pentanethiol?

3-Pentanethiol is a chemical substance with the molecular formula C5H12S and a molar mass of 104.22 g/mol. Its CAS registry number is 616-31-9. The IUPAC name is pentane-3-thiol.

What is the CAS number of 3-Pentanethiol?

The CAS registry number of 3-Pentanethiol is 616-31-9.

What is the molecular formula and weight of 3-Pentanethiol?

The molecular formula of 3-Pentanethiol is C5H12S and its molar mass is 104.22 g/mol.

What is 3-Pentanethiol used for?

Known uses and roles of 3-Pentanethiol include building blocks in research and laboratory and flavouring and nutrient.

Is 3-Pentanethiol hazardous?

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

What is the HS code of 3-Pentanethiol?

3-Pentanethiol 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 3-Pentanethiol?

CompoundList lists 1 supplier of 3-Pentanethiol in United Kingdom. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of 3-Pentanethiol?

Suppliers quote 3-Pentanethiol 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 3-Pentanethiol

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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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