2-Methylhexanoic Acid - ≥98%(GC) , CAS No.4536-23-6

CAS: 4536-23-6 Cat. No.: M158388 分子式: C7H14O2 分子量: 130.19 Beilstein Registry Number: 1721230 EC番号: 224-883-9
注文可能
GRADE & PURITY ≥98%(GC)
Synonyms
2-Methylhexanoic acid, >=99%, FG | BRN 1721227 | Hexanoic acid, 2-methyl- | alpha-methylhexanoic acid | FEMA No. 3191 | alpha -Methylcaproic acid | DTXCID7024241 | FEMA 3191 | M0947 | FT-0613050 | hexane-2-carboxylic acid | CVKMFSAVYPAZTQ-UHFFFAOYSA- | LU
Storage
Room temperature
Shipped In
Normal
★
Size
USA
ドイツ (EU)*
Price
Qty
5ml
M158388-5ml
在庫あり ≥10
—

$25.90

$38.90
保存 $13.00 (33.42%)
25ml
M158388-25ml
3 在庫あり
—

$89.90

$108.90
保存 $19.00 (17.45%)
100ml
M158388-100ml
1 在庫あり
—

$286.90

$389.90
保存 $103.00 (26.42%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥98%(GC) 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 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

概要

2-methylhexanoic acid has been identified as one of the volatile flavor compounds in the peel and pulp of doum fruit.

Specifications

同義語
2-Methylhexanoic acid, >=99%, FG | BRN 1721227 | Hexanoic acid, 2-methyl- | alpha-methylhexanoic acid | FEMA No. 3191 | alpha -Methylcaproic acid | DTXCID7024241 | FEMA 3191 | M0947 | FT-0613050 | hexane-2-carboxylic acid | CVKMFSAVYPAZTQ-UHFFFAOYSA- | LU
仕様と純度
≥98%(GC)
保管条件
Room temperature
入荷
Normal
純度
≥98%(GC)
名前と識別子
パブケム・シド
パブケム・シド・ウル
https://pubchem.ncbi.nlm.nih.gov/substance/488182634
カノニカル・スマイル
CCCCC(C)C(=O)O
IUPAC Name
2-methylhexanoic acid
InChIKey
CVKMFSAVYPAZTQ-UHFFFAOYSA-N
INCHI
1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
異性体SMILES
CCCCC(C)C(=O)O
WGKドイツ
2
RTECS
MO8400600
分子量
130.19
Beilstein
1721230
Reaxy-Rn
1721227
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1721227&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
分類Fatty 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
説明This 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
3 D構造
インタラクティブ化学構造モデル





証明書(CoA、COO、BSE/TSEと分析図)
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 Type日付商品
I2608122Certificate of AnalysisSep 11, 2026 M158388
E2113321Certificate of AnalysisFeb 07, 2025 M158388
E2113322Certificate of AnalysisFeb 07, 2025 M158388
C2623158Certificate of AnalysisFeb 21, 2023 M158388
D23031083Certificate of AnalysisFeb 21, 2023 M158388
D23031156Certificate of AnalysisFeb 21, 2023 M158388
D23031157Certificate of AnalysisFeb 21, 2023 M158388
D23031165Certificate of AnalysisFeb 21, 2023 M158388
D23031170Certificate of AnalysisFeb 21, 2023 M158388
D23031179Certificate of AnalysisFeb 21, 2023 M158388
E2410038Certificate of AnalysisApr 21, 2021 M158388
化学的性質と物理的性質
溶解度Soluble in water; Soluble in Ether,Alcohol
屈折率1.42
引火点(°C)105 °C
沸点(°C)72 °C/5.3 mmHg
分子量130.180 g/mol
XLogP32.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass130.099 Da
Monoisotopic Mass130.099 Da
Topological Polar Surface Area37.300 Ų
Heavy Atom Count9
Formal Charge0
Complexity88.900
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
ソリューション計算機
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