1-Octyn-3-ol - ≥97% , CAS No.818-72-4

CAS: 818-72-4 Cat. No.: O113758 Fórmula: C8H14O Peso molecular: 126.2 Beilstein Registry Number: 1098642 Número EC: 212-455-4
Disponible para pedir
GRADE & PURITY ≥97%
Synonyms
3-hydroxyoct-1-yne | AKOS009157934 | D91830 | 3-01-00-01996 (Beilstein Handbook Reference) | NCGC00260419-01 | rac-1-octyn-3-ol | (1)-Oct-1-yn-3-ol | SY029413 | 1-OCTYN-3-OL | UNII-DG52FEN1K1 | Oct-1-yne-3-ol | SY029457 | DG52FEN1K1 | SB44879 | AMY17779 |
Storage
Room temperature,Argon charged
Shipped In
Normal
★
Size
Alemania (EU)
USA*
Price
Qty
1ml
O113758-1ml
Fabricado bajo pedido · 8–12 semanas
8,59€
5ml
O113758-5ml
—
3 Disponible
16,40€
25ml
O113758-25ml
—
5 Disponible
59,79€
100ml
O113758-100ml
—
3 Disponible
190,82€
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature,Argon charged 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 12 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

Product Description
1-Octyn-3-ol is a racemic intermediate formed during the synthesis of enantiomerically pure secondary alcohols with sterically similar substituents.
Product Application
1-Octyn-3-ol was used in the synthesis of synthetic tricolorin A, a novel tetrasaccharide macrolactone that is a natural herbicide†.

Specifications

Sinónimos
3-hydroxyoct-1-yne | AKOS009157934 | D91830 | 3-01-00-01996 (Beilstein Handbook Reference) | NCGC00260419-01 | rac-1-octyn-3-ol | (1)-Oct-1-yn-3-ol | SY029413 | 1-OCTYN-3-OL | UNII-DG52FEN1K1 | Oct-1-yne-3-ol | SY029457 | DG52FEN1K1 | SB44879 | AMY17779 |
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature,Argon charged
Enviado en
Normal
Pureza
≥97%
Nombres e identificadores
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504752428
Sonrisas canónicas
CCCCCC(C#C)O
IUPAC Name
oct-1-yn-3-ol
InChIKey
VUGRNZHKYVHZSN-UHFFFAOYSA-N
INCHI
1S/C8H14O/c1-3-5-6-7-8(9)4-2/h2,8-9H,3,5-7H2,1H3
Isómeros SMILES
CCCCCC(C#C)O
WGK Alemania
3
RTECS
RI2737000
Peso molecular
126.2
Beilstein
1098642
Reaxy-Rn
1098642
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098642&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
SuperclassLipids and lipid-like molecules
ClaseFatty Acyls
SubclassFatty alcohols
Intermediate Tree Nodes Not available
Direct ParentFatty alcohols
Alternative Parents Secondary alcohols  Acetylides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Fatty alcohol - Secondary alcohol - Acetylide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic acyclic compound
DescripciónThis compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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.

4 results found

Lot NumberCertificate TypeFechaArticulo
C2209221Certificate of AnalysisDec 19, 2023 O113758
G2216465Certificate of AnalysisJun 07, 2022 O113758
G2216492Certificate of AnalysisJun 07, 2022 O113758
G2216644Certificate of AnalysisJun 07, 2022 O113758
Propiedades químicas y físicas
SolubilidadSoluble in water.
SensibilidadAir Sensitive
Índice de refracción1.4405-1.4425
Punto de inflamación (°F)145.4 °F
Punto de inflamación (°C)63℃
Punto de ebullición (°C)83°C
Punto de fusión (°C)-60°C
Peso molecular126.200 g/mol
XLogP32.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass126.104 Da
Monoisotopic Mass126.104 Da
Topological Polar Surface Area20.200 Ų
Heavy Atom Count9
Formal Charge0
Complexity98.400
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
Citations of This Product
Calculadoras de soluciones
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