1-Hexyn-3-ol - ≥96% , CAS No.105-31-7

CAS: 105-31-7 Cat. No.: H101580 Summenformel: C6H10O Molekulargewicht: 98.14 EG-Nummer: 203-286-7
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GRADE & PURITY ≥96%
Synonyms
H0141 | MFCD00014408 | A1-00337 | NCGC00357079-01 | 1-hexine-3-ol | AKOS009158382 | A801196 | DTXSID4051536 | 4-01-00-02234 (Beilstein Handbook Reference) | hex-1-yn-3-ol | 1-Hexyn-3-ol, 90%, technical grade | FT-0607891 | (+/-)-3-HYDROXYHEX-1-YNE | EINEC
Storage
Room temperature
Shipped In
Normal
★
Size
Deutschland (EU)
USA*
Price
Qty
5ml
H101580-5ml
—
7 Auf Lager
49,37€
25ml
H101580-25ml
—
7 Auf Lager
187,34€
100ml
H101580-100ml
—
4 Auf Lager
526,63€
Enter a quantity for the sizes you want to add.
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Why this grade

≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Übersicht

1-Hexyn-3-ol is a terminal propargylic alcohol. It undergoes microwave-accelerated coupling-isomerization reaction (MACIR) with (hetero)aryl halides to afford the corresponding enone.

Specifications

Synonyme
H0141 | MFCD00014408 | A1-00337 | NCGC00357079-01 | 1-hexine-3-ol | AKOS009158382 | A801196 | DTXSID4051536 | 4-01-00-02234 (Beilstein Handbook Reference) | hex-1-yn-3-ol | 1-Hexyn-3-ol, 90%, technical grade | FT-0607891 | (+/-)-3-HYDROXYHEX-1-YNE | EINEC
Spezifikationen & Reinheit
≥96%
Storage
Room temperature
Verschickt in
Normal
Reinheit
≥96%
Namen und Kennungen
Pubchem Sid488180551
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488180551
Kanonisches LächelnCCCC(C#C)O
IUPAC Namehex-1-yn-3-ol
InChIKeyLTFTWJYRQNTCHI-UHFFFAOYSA-N
INCHI1S/C6H10O/c1-3-5-6(7)4-2/h2,6-7H,3,5H2,1H3
Isomere SMILES CCCC(C#C)O
WGK Deutschland 3
RTECS MR0181000
UN-Nummer 2929
Verpackungsgruppe I
Molekulargewicht 98.14
Reaxy-Rn 1739419
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1739419&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

Download SDS →

✅ 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
SuperclassOrganic oxygen compounds
KlasseOrganooxygen compounds
SubclassAlcohols and polyols
Intermediate Tree Nodes Not available
Direct ParentSecondary alcohols
Alternative Parents Acetylides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Secondary alcohol - Acetylide - Hydrocarbon derivative - Aliphatic acyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
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.

6 results found

Lot NumberCertificate TypeDatumArtikel
D2314082Certificate of AnalysisSep 21, 2026 H101580
D2314149Certificate of AnalysisSep 21, 2026 H101580
H2206403Certificate of AnalysisMay 07, 2024 H101580
H2206411Certificate of AnalysisMay 07, 2024 H101580
H2211006Certificate of AnalysisMay 07, 2024 H101580
G2213570Certificate of AnalysisApr 07, 2024 H101580
Chemische und physikalische Eigenschaften
LöslichkeitSoluble in water and miscible with most organic solvents.
Brechungsindex1.431
Flammpunkt (°F)116.6 °F
Flammpunkt (°C)47 °C
Siedepunkt (°C)118°C
Molekulargewicht98.140 g/mol
XLogP30.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass98.0732 Da
Monoisotopic Mass98.0732 Da
Topological Polar Surface Area20.200 Ų
Heavy Atom Count7
Formal Charge0
Complexity77.400
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Lösungsrechner
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