Octane - anhydrous, ≥99% , CAS No.111-65-9

CAS: 111-65-9 Cat. No.: O119714 Fórmula: C8H18 Peso molecular: 114.23 Beilstein Registry Number: 1696875 Número CE: 203-892-1
Disponível para encomenda
GRADE & PURITY Anhydrous Grade ? Anhydrous grade — water removed and packaged dry for moisture-sensitive chemistry. Use in reactions where even trace water would interfere or quench. ≥99%
Synonyms
octane | OCTANE [MI] | n-C8H18 | O0151 | Octane, all isomers | LMFA11000002 | OTTANE | Octane; NSC 9822; n-Octane | Octil | FT-0696530 | OCTANE [INCI] | Oktan | Normal octane | Ottani [Italian] | Q150681 | DTXCID406882 | InChI=1/C8H18/c1-3-5-7-8-6-4-2/h3-
Storage
Room temperature
Shipped In
FedEx DG Service
★
Size
Alemanha (EU)
USA*
Price
Qty
100ml
O119714-100ml
—
3 Em stock
67,60€
500ml
O119714-500ml
—
3 Em stock
173,46€
Enter a quantity for the sizes you want to add.
🧪
Why this grade

Anhydrous Grade, ≥99% Anhydrous Grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships FedEx DG Service 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 420 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
octane | OCTANE [MI] | n-C8H18 | O0151 | Octane, all isomers | LMFA11000002 | OTTANE | Octane; NSC 9822; n-Octane | Octil | FT-0696530 | OCTANE [INCI] | Oktan | Normal octane | Ottani [Italian] | Q150681 | DTXCID406882 | InChI=1/C8H18/c1-3-5-7-8-6-4-2/h3-
Especificações e pureza
Anhydrous Grade, ≥99%
Condições de armazenamento de armazenamento
Room temperature
Enviado em
FedEx DG Service
Grau
Anhydrous Grade
Pureza
≥99%
Nomes e identificadores
Pubchem Sid504750382
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504750382
Sorrisos canónicosCCCCCCCC
IUPAC Nameoctane
InChIKeyTVMXDCGIABBOFY-UHFFFAOYSA-N
INCHI1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
SMILES isoméricas CCCCCCCC
WGK Alemanha 2
RTECS RG8400000
Número UN 1262
Grupo de embalagem II
Peso molecular 114.23
Beilstein 1696875
Reaxy-Rn 1696875
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1696875&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
SuperclassHydrocarbons
ClasseSaturated hydrocarbons
SubclassAlkanes
Intermediate Tree Nodes Not available
Direct ParentAlkanes
Alternative Parents Not available
Molecular FrameworkAliphatic acyclic compounds
Substituents Acyclic alkane - Alkane - Aliphatic acyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
External Descriptors a small molecule
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (não humanos)
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
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.

20 results found

Lot NumberCertificate TypeDataItem
H2606420Certificate of AnalysisJul 27, 2026 O119714
H2606413Certificate of AnalysisJul 27, 2026 O119714
D2630411Certificate of AnalysisApr 24, 2026 O119714
K2514635Certificate of AnalysisNov 10, 2025 O119714
K2514634Certificate of AnalysisNov 10, 2025 O119714
L2416412Certificate of AnalysisDec 06, 2024 O119714
L2416411Certificate of AnalysisDec 06, 2024 O119714
I2306557Certificate of AnalysisJun 30, 2023 O119714
I2306558Certificate of AnalysisJun 30, 2023 O119714
G2310281Certificate of AnalysisJun 15, 2023 O119714
G2310246Certificate of AnalysisJun 15, 2023 O119714
D2306832Certificate of AnalysisJan 09, 2023 O119714
D2306831Certificate of AnalysisJan 09, 2023 O119714
L2220167Certificate of AnalysisDec 14, 2022 O119714
L2220168Certificate of AnalysisDec 14, 2022 O119714
L2220189Certificate of AnalysisDec 14, 2022 O119714
H2229453Certificate of AnalysisAug 12, 2022 O119714
H2229454Certificate of AnalysisAug 12, 2022 O119714
B2208532Certificate of AnalysisJan 20, 2022 O119714
B2208421Certificate of AnalysisJan 20, 2022 O119714
Propriedades químicas e físicas
SolubilidadeIt can be miscible with ether, benzene, petroleum ether and gasoline, soluble in ethanol and acetone, insoluble in water, water solubility: 0.0007 g / L (20 ° C)
Índice de refração1.397
Ponto de inflamação (°F)55.4 °F
Ponto de inflamação (°C)14°C
Ponto de ebulição (°C)125°C
Ponto de fusão (°C)-57°C(lit.)
Peso molecular114.230 g/mol
XLogP33.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count5
Exact Mass114.141 Da
Monoisotopic Mass114.141 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count8
Formal Charge0
Complexity25.000
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
FAQs e artigos
Citations of This Product
Calculadoras de soluções
Revisões

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