1-Octadecyne - ≥95% , CAS No.629-89-0

CAS: 629-89-0 Cat. No.: O159917 Formula: C18H34 Molecular Weight: 250.47 Beilstein Registry Number: 1(4)1075 EC Number: 211-114-7
AVAILABLE TO ORDER
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
Germany (EU)
USA*
Price
Qty
1ml
O159917-1ml
—
4 In stock
€58.92
5ml
O159917-5ml
—
5 In stock
€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

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
Specifications & Purity
≥95%
Storage
Room temperature,Argon charged
Shipped In
Normal
Purity
≥95%
Names and Identifiers
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488184321
Canonical Smiles
CCCCCCCCCCCCCCCCC#C
IUPAC Name
octadec-1-yne
InChIKey
IYDNQWWOZQLMRH-UHFFFAOYSA-N
INCHI
1S/C18H34/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h1H,4-18H2,2H3
Isomeric SMILES
CCCCCCCCCCCCCCCCC#C
Molecular Weight
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
ClassNot 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





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.

7 results found

Lot NumberCertificate TypeDateItem
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
Chemical and Physical Properties
SensitivityAir Sensitive
Boil Point(°C)313℃
Melt Point(°C)25 °C
Molecular Weight250.500 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
Solution Calculators
Reviews

Customer Reviews

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