1-Octadecyne - ≥95% , CAS No.629-89-0

CAS: 629-89-0 Cat. No.: O159917 Fórmula: C18H34 Peso molecular: 250.47 Beilstein Registry Number: 1(4)1075 Número EC: 211-114-7
Disponible para pedir
GRADE & PURITY ≥95%
Synonyms
QSPL 036 | STK050156 | Hexadecylacetylene | Cetylacetylene | UNII-8U6AS2VE7S | BS-53270 | DTXSID90212079 | 1-Octadecyne | 8U6AS2VE7S | IYDNQWWOZQLMRH-UHFFFAOYSA-N | D91808 | O0128 | Octadecyne | MFCD00015088 | octadec-1-yne | EINECS 211-114-7 | FT-0608175
Storage
Room temperature,Argon charged
Shipped In
Normal
★
Size
Alemania (EU)
USA*
Price
Qty
1ml
O159917-1ml
—
4 Disponible
58,92€
5ml
O159917-5ml
—
5 Disponible
216,85€
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥95% 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
QSPL 036 | STK050156 | Hexadecylacetylene | Cetylacetylene | UNII-8U6AS2VE7S | BS-53270 | DTXSID90212079 | 1-Octadecyne | 8U6AS2VE7S | IYDNQWWOZQLMRH-UHFFFAOYSA-N | D91808 | O0128 | Octadecyne | MFCD00015088 | octadec-1-yne | EINECS 211-114-7 | FT-0608175
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature,Argon charged
Enviado en
Normal
Pureza
≥95%
Nombres e identificadores
Pubchem Sid488184321
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488184321
Sonrisas canónicasCCCCCCCCCCCCCCCCC#C
IUPAC Nameoctadec-1-yne
InChIKeyIYDNQWWOZQLMRH-UHFFFAOYSA-N
INCHI1S/C18H34/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h1H,4-18H2,2H3
Isómeros SMILES CCCCCCCCCCCCCCCCC#C
Peso molecular 250.47
Beilstein 1(4)1075
Reaxy-Rn 1761040
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1761040&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
SuperclassAcetylides
ClaseNot available
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentAcetylides
Alternative Parents Terminal alkynes  Unsaturated aliphatic hydrocarbons  
Molecular FrameworkAliphatic acyclic compounds
Substituents Acetylide - Monosubstituted alkyne - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Alkyne - Acyclic acetylene - Acetylene - Hydrocarbon - Aliphatic acyclic compound
DescripciónThis compound belongs to the class of organic compounds known as acetylides. These are compounds arising by replacement of one or both hydrogen atoms of acetylene (ethyne) by a metal or other cationic group. E.g. NaC#CH monosodium acetylide. By extension, analogous compounds derived from terminal acetylenes, RC#CH. The class is limited here to derivatives of acetylene where the hydrogen atom is replaced with an element with similar or lower electronegativity that carbon.
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.

7 results found

Lot NumberCertificate TypeFechaArticulo
I2312718Certificate of AnalysisAug 08, 2023 O159917
I2312747Certificate of AnalysisAug 08, 2023 O159917
A2628025Certificate of AnalysisJun 28, 2023 O159917
G23201002Certificate of AnalysisJun 28, 2023 O159917
G2320989Certificate of AnalysisJun 28, 2023 O159917
G2320993Certificate of AnalysisJun 28, 2023 O159917
G2320996Certificate of AnalysisJun 28, 2023 O159917
Propiedades químicas y físicas
SensibilidadAir Sensitive
Punto de ebullición (°C)313℃
Punto de fusión (°C)25 °C
Peso molecular250.500 g/mol
XLogP38.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count14
Exact Mass250.266 Da
Monoisotopic Mass250.266 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count18
Formal Charge0
Complexity183.000
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
Citations of This Product
Referencias
1. Yuming Sun, Yue Hao, Xinyu Lin, Zhonghuan Liu, Hongyang Sun, Shuhan Jia, Yahui Chen, Yongsheng Yan, Xuefei Li.  (2023)  Efficient electron transport by 1D CuZnInS modified 2D Ti3C2 MXene for enhanced photocatalytic hydrogen production.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:37722168] [10.1016/j.jcis.2023.09.075]
Calculadoras de soluciones
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