Methyl n-Octanoate - ≥99%(GC) , CAS No.111-11-5

CAS: 111-11-5 Cat. No.: M158158 Summenformel: C9H18O2 Molekulargewicht: 158.24 Beilstein Registry Number: 1752270 EG-Nummer: 203-835-0
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GRADE & PURITY ≥99%(GC)
Synonyms
2-Bromo-2-ethylbutanoyl chloride | FT-0628328 | Methyl octanoate, 99% | CHEBI:87432 | S0306 | Methyl caprylate | Methyl ester of octanoic acid | Methyl octanoate | Methyl Caprylate; Octanoic acid methyl ester; Methyl octanoate | C08 FAME | DTXCID606864 |
Storage
Room temperature
Shipped In
Normal
★
Size
Deutschland (EU)
USA*
Price
Qty
25ml
M158158-25ml
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8 Auf Lager

12,93€

15,53€
Speichern 2,60 € (16.76%)
100ml
M158158-100ml
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4 Auf Lager

16,40€

22,47€
Speichern 6,07 € (27.03%)
500ml
M158158-500ml
1 Auf Lager
3 Auf Lager
40,70€
Enter a quantity for the sizes you want to add.
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Why this grade

≥99%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 21 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Übersicht

The mixture of methyl octanoate and ethanol is used as a substitute fuel for biodiesel and bioethanol. The oxidation kinetics of the mixture is studied in a jet stirring reactor. The deoxidation of methyl octanoate on alumina supported platinum was studied, including gas phase in flow reactor and liquid phase in semi-static reactor.

Specifications

Synonyme
2-Bromo-2-ethylbutanoyl chloride | FT-0628328 | Methyl octanoate, 99% | CHEBI:87432 | S0306 | Methyl caprylate | Methyl ester of octanoic acid | Methyl octanoate | Methyl Caprylate; Octanoic acid methyl ester; Methyl octanoate | C08 FAME | DTXCID606864 |
Spezifikationen & Reinheit
≥99%(GC)
Storage
Room temperature
Verschickt in
Normal
Aktionsart
INHIBITOR
Reinheit
≥99%(GC)
Namen und Kennungen
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488180686
Kanonisches Lächeln
CCCCCCCC(=O)OC
IUPAC Name
methyl octanoate
InChIKey
JGHZJRVDZXSNKQ-UHFFFAOYSA-N
INCHI
1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
Isomere SMILES
CCCCCCCC(=O)OC
WGK Deutschland
1
RTECS
RH0778000
UN-Nummer
3272
Verpackungsgruppe
II
Molekulargewicht
158.24
Beilstein
1752270
Reaxy-Rn
1752270
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1752270&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
KlasseFatty Acyls
SubclassFatty acid esters
Intermediate Tree Nodes Not available
Direct ParentFatty acid methyl esters
Alternative Parents Methyl esters  Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic acyclic compounds
Substituents Fatty acid methyl ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
External Descriptors Wax monoesters
3D-Struktur
Interaktives chemisches Strukturmodell





Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
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.

26 results found

Lot NumberCertificate TypeDatumArtikel
A2310457Certificate of AnalysisOct 09, 2026 M158158
L2209403Certificate of AnalysisSep 01, 2026 M158158
L2209368Certificate of AnalysisSep 01, 2026 M158158
L2209361Certificate of AnalysisSep 01, 2026 M158158
L2209360Certificate of AnalysisSep 01, 2026 M158158
L2209355Certificate of AnalysisSep 01, 2026 M158158
B2217205Certificate of AnalysisDec 22, 2025 M158158
L2118313Certificate of AnalysisOct 13, 2025 M158158
L2118312Certificate of AnalysisOct 13, 2025 M158158
L2118288Certificate of AnalysisOct 13, 2025 M158158
I2107503Certificate of AnalysisJun 09, 2025 M158158
D2106049Certificate of AnalysisJan 13, 2025 M158158
D2106050Certificate of AnalysisJan 13, 2025 M158158
K2012071Certificate of AnalysisSep 13, 2024 M158158
I2503723Certificate of AnalysisJul 29, 2024 M158158
I2503724Certificate of AnalysisJul 29, 2024 M158158
I2503722Certificate of AnalysisJul 29, 2024 M158158
I2016518Certificate of AnalysisJul 16, 2024 M158158
H2402409Certificate of AnalysisApr 29, 2024 M158158
H2402408Certificate of AnalysisApr 29, 2024 M158158
G2418211Certificate of AnalysisApr 29, 2024 M158158
G2418212Certificate of AnalysisApr 29, 2024 M158158
F2411321Certificate of AnalysisApr 28, 2024 M158158
F2411320Certificate of AnalysisApr 28, 2024 M158158
F2411316Certificate of AnalysisApr 28, 2024 M158158
L2209354Certificate of AnalysisJun 11, 2022 M158158
Chemische und physikalische Eigenschaften
LöslichkeitInsoluble in water.
Brechungsindex1.417
Flammpunkt (°F)156.2 °F
Flammpunkt (°C)76°C
Siedepunkt (°C)193°C
Schmelzpunkt (°C)-40℃
Molekulargewicht158.240 g/mol
XLogP33.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass158.131 Da
Monoisotopic Mass158.131 Da
Topological Polar Surface Area26.300 Ų
Heavy Atom Count11
Formal Charge0
Complexity99.700
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
Lösungsrechner
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