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Caproic acid-1-13C - ≥99%,≥99 atom% ¹³C , CAS No.58454-07-2
注文可能
GRADE & PURITY ≥99%,≥99 atom% ¹³C
Storage
Room temperature
Shipped In
Normal
Why this grade
≥99%,≥99 atom% ¹³C 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
仕様と純度
≥99%,≥99 atom% ¹³C
保管条件
Room temperature
入荷
Normal
純度
≥99%,≥99 atom% ¹³C
名前と識別子
| カノニカル・スマイル | CCCCCC(=O)O |
|---|---|
| IUPAC Name | (113C)hexanoic acid |
| InChIKey | FUZZWVXGSFPDMH-PTQBSOBMSA-N |
| INCHI | 1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/i6+1 |
| 異性体SMILES | CCCCC[13C](=O)O |
| PubChem CID | 12222600 |
| UN番号 | 2829 |
| 分子量 | 117.15 |
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 →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
- 分類 Fatty Acyls
- Subclass Fatty acids and conjugates
- 分類 Fatty Acyls
- Superclass Lipids and lipid-like molecules
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| 分類 | Fatty Acyls |
| Subclass | Fatty acids and conjugates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Medium-chain fatty acids |
| Alternative Parents | Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Medium-chain 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 |
| 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 | Not available |
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:
化学的性質と物理的性質
| 屈折率 | n20/D 1.416 (lit.) |
|---|---|
| 引火点（°F） | 215.6 °F |
| 引火点（°C） | 102 °C |
| 沸点（°C） | 202-203℃ (lit.) |
| 融点（°C） | −3℃ (lit.) |
| 分子量 | 117.150 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 117.087 Da |
| Monoisotopic Mass | 117.087 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 68.900 |
| Isotope Atom Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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