2-Octynoic acid - ≥95% , CAS No.5663-96-7

CAS: 5663-96-7 Cat. No.: B301308 Molecular Weight: 140.18 EC Number: 227-121-3
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
E78160 | NSC-75855 | STR05359 | FT-0750287 | UNII-I7TMI3HR1Y | CHEBI:60295 | Pentylpropiolic acid | EINECS 227-121-3 | 2-Octyn-1-oic acid | DTXSID50205205 | Q27127173 | Propiolic acid, pentyl- | m-Pentyl propiolate | LMFA01030577 | Oct-2-ynoicacid | NSC 7
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
100mg
B301308-100mg
5
$14.90
1g
B301308-1g
5
$21.90
5g
B301308-5g
5
$57.90
25g
B301308-25g
3
$271.90
100g
B301308-100g
2
$1,076.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥95% 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.

Specifications

Synonyms
E78160 | NSC-75855 | STR05359 | FT-0750287 | UNII-I7TMI3HR1Y | CHEBI:60295 | Pentylpropiolic acid | EINECS 227-121-3 | 2-Octyn-1-oic acid | DTXSID50205205 | Q27127173 | Propiolic acid, pentyl- | m-Pentyl propiolate | LMFA01030577 | Oct-2-ynoicacid | NSC 7
Specifications & Purity
≥95%
Storage
Room temperature
Shipped In
Normal
Purity
≥95%
Names and Identifiers
Pubchem Sid488182726
Canonical SmilesCCCCCC#CC(=O)O
IUPAC Nameoct-2-ynoic acid
InChIKeyBQDKCWCMDBMLEH-UHFFFAOYSA-N
INCHI1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h2-5H2,1H3,(H,9,10)
Isomeric SMILES CCCCCC#CC(=O)O
Molecular Weight 140.18
Reaxy-Rn 1751225
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1751225&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.

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🔬 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
ClassFatty Acyls
SubclassFatty acids and conjugates
Intermediate Tree Nodes Not available
Direct ParentMedium-chain fatty acids
Alternative Parents Unsaturated fatty acids  Straight chain fatty acids  Monocarboxylic acids and derivatives  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic acyclic compounds
Substituents Medium-chain fatty acid - Unsaturated fatty acid - Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
External Descriptors Unsaturated fatty acids
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.

11 results found

Lot NumberCertificate TypeDateItem
I2025279Certificate of AnalysisApr 15, 2026 B301308
F23021157Certificate of AnalysisMar 13, 2026 B301308
C2317706Certificate of AnalysisJan 19, 2026 B301308
C2317720Certificate of AnalysisJan 19, 2026 B301308
C2317792Certificate of AnalysisJan 19, 2026 B301308
L2530459Certificate of AnalysisDec 31, 2025 B301308
K2224050Certificate of AnalysisSep 16, 2025 B301308
K2224064Certificate of AnalysisSep 16, 2025 B301308
K2224086Certificate of AnalysisSep 16, 2025 B301308
K2224276Certificate of AnalysisSep 16, 2025 B301308
K2224307Certificate of AnalysisSep 16, 2025 B301308

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Chemical and Physical Properties
Refractive Index1.4600
Flash Point(°F)214°F
Flash Point(°C)101°C
Boil Point(°C)148-149°/19mm
Molecular Weight140.180 g/mol
XLogP32.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass140.084 Da
Monoisotopic Mass140.084 Da
Topological Polar Surface Area37.300 Ų
Heavy Atom Count10
Formal Charge0
Complexity159.000
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
Solution Calculators
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