Calcium 2-ethylhexanoate - ≥98% , CAS No.136-51-6

CAS: 136-51-6 Cat. No.: C472850 분자식: C₁₆H₃₀CaO₄ 분자량: 326.49 EC 번호: 205-249-0

GRADE & PURITY ≥98%

Synonyms

Calcium 2-ethylhexoate | LTPCXXMGKDQPAO-UHFFFAOYSA-L | UNII-4UT7R68TMI | DTXSID5027063 | FT-0689264 | Nikka Octhix Calcium | OCTA-SOLIGEN CALCIUM 7HS | Q3598003 | NUSA CA | calcium;2-ethylhexanoate | CALCIUM BIS(2-ETHYL HEXANOATE) | Calcium Hex-Cem | CAS-

Storage

Room temperature

Specifications

동의어

Calcium 2-ethylhexoate | LTPCXXMGKDQPAO-UHFFFAOYSA-L | UNII-4UT7R68TMI | DTXSID5027063 | FT-0689264 | Nikka Octhix Calcium | OCTA-SOLIGEN CALCIUM 7HS | Q3598003 | NUSA CA | calcium;2-ethylhexanoate | CALCIUM BIS(2-ETHYL HEXANOATE) | Calcium Hex-Cem | CAS-

사양 및 순도

≥98%

보관 조건

Room temperature

순수함

≥98%

이름과 식별자

Pubchem Sid

488183439

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183439

정식 스마일

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ca+2]

IUPAC Name

calcium;2-ethylhexanoate

InChIKey

LTPCXXMGKDQPAO-UHFFFAOYSA-L

INCHI

1S/2C8H16O2.Ca/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2

이성체 SMILES

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ca+2]

분자량

326.49

Reaxy-Rn

11343550

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11343550&ln=

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: Branched fatty acids Carboxylic acid salts Organic calcium salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Medium-chain fatty acid - Branched fatty acid - Carboxylic acid salt - Organic calcium salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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

• 녹는점(°C): 215 °C
• 분자량: 326.480 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 326.177 Da
• Monoisotopic Mass: 326.177 Da
• Topological Polar Surface Area: 80.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 93.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 136-51-6, the molecular formula is C16H30CaO4, and the molecular weight is 326.49 g/mol. InChIKey LTPCXXMGKDQPAO-UHFFFAOYSA-L.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.