CompoundList
Sign in
Aldehydes and ketones

3-Mercaptohexanal

Also known as Hexanal, 3-mercapto-, 3-sulfanylhexanal, (+-)-3-Mercaptohexanal

CAS 51755-72-7Formula C6H12OSMolar mass 132.23 g/mol
Get quotes Safety data
3-Mercaptohexanal chemical structure, C6H12OS, CAS 51755-72-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
51755-72-7
Formula
C6H12OS
Molar mass
132.23 g/mol
HS code
293090
Category
Aldehydes and ketones

What is 3-Mercaptohexanal?

Plain description, key identifiers and synonyms

3-Mercaptohexanal is a chemical substance with the molecular formula C6H12OS and a molar mass of 132.23 g/mol. Its CAS registry number is 51755-72-7. The IUPAC name is 3-sulfanylhexanal.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-sulfanylhexanal
CAS number
51755-72-7 CAS number cross-checked
Molecular formula
C6H12OS
UNII
7YS9XL4686
InChIKey
MMODARXIJRCRGL-UHFFFAOYSA-N
InChI
InChI=1S/C6H12OS/c1-2-3-6(8)4-5-7/h5-6,8H,2-4H2,1H3
SMILES (canonical and isomeric)
CCCC(CC=O)S

Synonyms

  • Hexanal, 3-mercapto-
  • 3-sulfanylhexanal
  • (+-)-3-Mercaptohexanal
  • 3-Mercaptohexanal, (+-)-
  • (+/-)-3-Mercaptohexanal
  • 3-Mercaptohexanal, (+/-)-

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

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

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
132.23 g/molcalc.
Exact mass
132.0609 Dacalc.
LogP (octanol/water)
1.67calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
4calc.
Heavy atoms
8calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.83calc.
Formal charge
0calc.
Stereocentres
1calc.
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

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

3-Mercaptohexanal suppliers

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

No supplier listings yet

Post one free request and suppliers who make or trade 3-Mercaptohexanal can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

3-Mercaptohexanal price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

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

Frequently asked questions

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

What is 3-Mercaptohexanal?

3-Mercaptohexanal is a chemical substance with the molecular formula C6H12OS and a molar mass of 132.23 g/mol. Its CAS registry number is 51755-72-7. The IUPAC name is 3-sulfanylhexanal.

What is the CAS number of 3-Mercaptohexanal?

The CAS registry number of 3-Mercaptohexanal is 51755-72-7.

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

The molecular formula of 3-Mercaptohexanal is C6H12OS and its molar mass is 132.23 g/mol.

What is 3-Mercaptohexanal used for?

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

Is 3-Mercaptohexanal hazardous?

No GHS hazard classification for 3-Mercaptohexanal is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of 3-Mercaptohexanal?

3-Mercaptohexanal 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-Mercaptohexanal?

Post a free request on CompoundList and suppliers of 3-Mercaptohexanal will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 3-Mercaptohexanal?

Suppliers quote 3-Mercaptohexanal 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-Mercaptohexanal

Get quotes for 3-Mercaptohexanal

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell 3-Mercaptohexanal
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of 3-Mercaptohexanal with a 3D view, its CAS number and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/3-mercaptohexanal-51755-72-7" title="3-Mercaptohexanal structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Aldehydes and ketones or HS code 293090

Price on request
Free quotes, contact stays private
Get quotes