4-Methyloctanoic acid - ≥98% , CAS No.54947-74-9

CAS: 54947-74-9 Cat. No.: M103013 Formule: C9H18O2 Poids moléculaire: 158.24 Beilstein Registry Number: 2(4)1029 Numéro CE: 259-404-2
DISPONIBLE À COMMANDE
GRADE & PURITY ≥98%
Synonyms
4-methyl octanoic acid | FEMA 3575 | FEMA No. 3575 | HIRCINOIC ACID | Z1203162093 | 5545264N9R | AKOS006221865 | AS-15966 | 4-Methylcaprylic acid | CHEBI:179879 | rac-4-Methyloctanoic acid | W-105595 | 4-METHYLOCTANOIC ACID, (+/-)- | 4-Methyloctanoicacid
Storage
Room temperature
Shipped In
Normal
★
Size
Allemagne (EU)
USA*
Price
Qty
1g
M103013-1g
Sur commande · 8–12 semaines

10,33€

15,53€
Enregistrer 5,21 € (33.52%)
5g
M103013-5g
—
4 En stock

19,00€

28,55€
Enregistrer 9,55 € (33.43%)
25g
M103013-25g
Sur commande · 8–12 semaines

51,98€

78,01€
Enregistrer 26,03 € (33.37%)
100g
M103013-100g
Sur commande · 8–12 semaines

168,25€

252,43€
Enregistrer 84,17 € (33.34%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥98% 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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonymes
4-methyl octanoic acid | FEMA 3575 | FEMA No. 3575 | HIRCINOIC ACID | Z1203162093 | 5545264N9R | AKOS006221865 | AS-15966 | 4-Methylcaprylic acid | CHEBI:179879 | rac-4-Methyloctanoic acid | W-105595 | 4-METHYLOCTANOIC ACID, (+/-)- | 4-Methyloctanoicacid
Spécifications et pureté
≥98%
Conditions de stockage de stockage
Room temperature
Expédié en
Normal
Pureté
≥98%
Noms et identifiants
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/528760802
Sourires canoniques
CCCCC(C)CCC(=O)O
IUPAC Name
4-methyloctanoic acid
InChIKey
LEGGANXCVQPIAI-UHFFFAOYSA-N
INCHI
1S/C9H18O2/c1-3-4-5-8(2)6-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
Isomères SMILES
CCCCC(C)CCC(=O)O
WGK Allemagne
1
Numéro ONU
3265
Poids moléculaire
158.24
Beilstein
2(4)1029
Reaxy-Rn
1755426
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1755426&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 Methyl-branched fatty acids  Monocarboxylic acids and derivatives  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic acyclic compounds
Substituents Medium-chain fatty acid - Methyl-branched fatty acid - Branched 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 Branched fatty acids
Structure 3D
Modèle de structure chimique interactif





Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
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.

6 results found

Lot NumberCertificate TypeDateArticle
C2604170Certificate of AnalysisMar 05, 2026 M103013
C1829060Certificate of AnalysisOct 14, 2025 M103013
K2119084Certificate of AnalysisSep 04, 2025 M103013
K2119089Certificate of AnalysisSep 04, 2025 M103013
H2506054Certificate of AnalysisAug 12, 2025 M103013
K1221045Certificate of AnalysisOct 12, 2024 M103013
Propriétés chimiques et physiques
Indice de réfraction1.433
Point d'éclair (°F)113 °C
Point d'éclair (°C)113°C
Point d'ébullition (°C)149°C
Poids moléculaire158.240 g/mol
XLogP33.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass158.131 Da
Monoisotopic Mass158.131 Da
Topological Polar Surface Area37.300 Ų
Heavy Atom Count11
Formal Charge0
Complexity110.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Calculateurs de solution
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