1-Hexanethiol(MCH) - ≥94% , CAS No.111-31-9

CAS: 111-31-9 Cat. No.: H299109 Formula: C6H14S Molecular Weight: 118.24 Beilstein Registry Number: 1731295 EC Number: 203-857-0
AVAILABLE TO ORDER
GRADE & PURITY ≥94%
Synonyms
DTXSID0051574 | DTXCID4030126 | FS-4087 | Mercaptan C6 | n-Hexylthiol | EINECS 203-857-0 | NSC99106 | AKOS015897424 | USAF EK-4628 | FT-0652492 | Hexane-1-thiol | SCHEMBL22331 | EN300-267737 | CAS-111-31-9 | A802340 | J-504659 | 1-Hexyl mercaptan | Hexylt
Storage
Room temperature,Argon charged
Shipped In
FedEx DG Service
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Size
Germany (EU)
USA*
Price
Qty
25ml
H299109-25ml
—
3 In stock
€15.53
100ml
H299109-100ml
—
3 In stock
€37.23
500ml
H299109-500ml
—
3 In stock
€112.72
Enter a quantity for the sizes you want to add.
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Why this grade

≥94% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature,Argon charged Ships FedEx DG Service Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 31 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
DTXSID0051574 | DTXCID4030126 | FS-4087 | Mercaptan C6 | n-Hexylthiol | EINECS 203-857-0 | NSC99106 | AKOS015897424 | USAF EK-4628 | FT-0652492 | Hexane-1-thiol | SCHEMBL22331 | EN300-267737 | CAS-111-31-9 | A802340 | J-504659 | 1-Hexyl mercaptan | Hexylt
Specifications & Purity
≥94%
Storage
Room temperature,Argon charged
Shipped In
FedEx DG Service
Purity
≥94%
Names and Identifiers
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504751580
Canonical Smiles
CCCCCCS
IUPAC Name
hexane-1-thiol
InChIKey
PMBXCGGQNSVESQ-UHFFFAOYSA-N
INCHI
1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
Isomeric SMILES
CCCCCCS
WGK Germany
3
RTECS
MO4550000
UN Number
1228
Packing Group
II
Molecular Weight
118.24
Beilstein
1731295
Reaxy-Rn
1731295
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731295&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

<<<<<<< HEAD Download SDS → ======= Download SDS → >>>>>>> release248-p3

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganosulfur compounds
ClassThiols
SubclassAlkylthiols
Intermediate Tree Nodes Not available
Direct ParentAlkylthiols
Alternative Parents Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Alkylthiol - Hydrocarbon derivative - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Mechanisms of Action
Certificates (CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot NumberCertificate TypeDateItem
L2214843L2214843Certificate of AnalysisSep 07, 2026 H299109
L2301239L2301239Certificate of AnalysisDec 12, 2023 H299109
L2301240L2301240Certificate of AnalysisDec 12, 2023 H299109
L2301241L2301241Certificate of AnalysisDec 06, 2023 H299109
G1915209G1915209Certificate of AnalysisMay 06, 2023 H299109
Chemical and Physical Properties
SolubilityDifficult to mix in water.
SensitivityAir sensitive.
x_refractive_index1.447-1.451
x_flash_point_drop_centigrade30℃
x_boil_point_char150-154°C
x_melt_point_char-81--80°C
Molecular Weight118.240 g/mol
XLogP33.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass118.082 Da
Monoisotopic Mass118.082 Da
Topological Polar Surface Area1.000 Ų
Heavy Atom Count7
Formal Charge0
Complexity27.400
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
FAQs and Articles
Citations of This Product
Solution Calculators
Reviews

Customer Reviews

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