Sodium Decanoate - ≥99% , CAS No.1002-62-6

CAS: 1002-62-6 Cat. No.: S161316 분자식: C₁₀H₁₉NaO₂ 분자량: 194.25 Beilstein Registry Number: 3572740 EC 번호: 213-688-4 PubChem CID: 4457968

GRADE & PURITY ≥99%

Synonyms

Decanoic Acid (sodium salt) | Q17437159 | SODIUM CAPRATE [INCI] | UNII-4I820XKV2A | Capric acid sodium salt | F19532 | 4I820XKV2A | EINECS 213-688-4 | HY-115340 | Decanoic acid sodium salt | Caprinic acid sodium salt | Sodium caprate | MFCD00066453 | sodi

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

Decanoic Acid (sodium salt) | Q17437159 | SODIUM CAPRATE [INCI] | UNII-4I820XKV2A | Capric acid sodium salt | F19532 | 4I820XKV2A | EINECS 213-688-4 | HY-115340 | Decanoic acid sodium salt | Caprinic acid sodium salt | Sodium caprate | MFCD00066453 | sodi

사양 및 순도

≥99%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥99%

이름과 식별자

Pubchem Sid

504763033

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763033

정식 스마일

CCCCCCCCCC(=O)[O-].[Na+]

IUPAC Name

sodium;decanoate

InChIKey

FIWQZURFGYXCEO-UHFFFAOYSA-M

INCHI

1S/C10H20O2.Na/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);/q;+1/p-1

이성체 SMILES

CCCCCCCCCC(=O)[O-].[Na+]

WGK 독일

3

RTECS

HE0200000

PubChem CID

4457968

분자량

194.25

Beilstein

3572740

Reaxy-Rn

3572742

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Carboxylic acid salt - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 분자량: 194.250 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 194.128 Da
• Monoisotopic Mass: 194.128 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 115.000
• Isotope Atom Count: 0
• 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: 2

XLogP3