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

CAS: 5663-96-7 Cat. No.: B301308 Fórmula: CH3(CH2)4C≡CCO2H Peso molecular: 140.18 Número CE: 227-121-3
Disponível para encomenda
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
★
Size
USA
Alemanha (EU)*
Price
Qty
100mg
B301308-100mg
5 Em stock
—
14,90US$
1g
B301308-1g
5 Em stock
—
21,90US$
5g
B301308-5g
5 Em stock
—
57,90US$
25g
B301308-25g
3 Em stock
—
271,90US$
100g
B301308-100g
2 Em stock
—
1076,90US$
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 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

Sinónimos
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
Especificações e pureza
≥95%
Condições de armazenamento de armazenamento
Room temperature
Enviado em
Normal
Pureza
≥95%
Nomes e identificadores
Pubchem Sid488182726
Sorrisos canónicosCCCCCC#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)
SMILES isoméricas CCCCCC#CC(=O)O
Peso molecular 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.

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
ClasseFatty 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
DescriçãoThis 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
Estrutura 3D
Modelo de Estrutura Química Interativa





Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
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 TypeDataItem
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
I2025279Certificate of AnalysisJul 07, 2023 B301308
F23021157Certificate of AnalysisAug 06, 2022 B301308

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Propriedades químicas e físicas
Índice de refração1.4600
Ponto de inflamação (°F)214°F
Ponto de inflamação (°C)101°C
Ponto de ebulição (°C)148-149°/19mm
Peso molecular140.180 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
Calculadoras de soluções
Revisões

Avaliações dos Clientes

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