도데실 스테아레이트 - ≥60%(GC) , CAS No.5303-25-3

CAS: 5303-25-3 Cat. No.: D154831 분자식: C₃₀H₆₀O₂ 분자량: 452.81 EC 번호: 226-150-9

GRADE & PURITY ≥60%(GC)

Synonyms

8M9A08VM57 | SCHEMBL224683 | Dodecyl octadecanoate | LAURYL STEARATE [INCI] | EINECS 270-167-4 | UNII-8M9A08VM57 | AKOS015839777 | DTXSID201022413 | Stearic Acid Lauryl Ester | DTXSID2063765 | EINECS 226-150-9 | METHIONINE, D- | AI3-31619 | starbld0016682

Storage

Room temperature

Shipped In

보통

Specifications

동의어

8M9A08VM57 | SCHEMBL224683 | Dodecyl octadecanoate | LAURYL STEARATE [INCI] | EINECS 270-167-4 | UNII-8M9A08VM57 | AKOS015839777 | DTXSID201022413 | Stearic Acid Lauryl Ester | DTXSID2063765 | EINECS 226-150-9 | METHIONINE, D- | AI3-31619 | starbld0016682

사양 및 순도

≥60%(GC)

보관 조건

Room temperature

배송

보통

순수함

≥60%(GC)

이름과 식별자

Pubchem Sid

488185685

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185685

정식 스마일

CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC

IUPAC Name

dodecyl octadecanoate

InChIKey

JRTVEUGOGWTHTR-UHFFFAOYSA-N

INCHI

1S/C30H60O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30(31)32-29-27-25-23-21-14-12-10-8-6-4-2/h3-29H2,1-2H3

이성체 SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC

분자량

452.81

Reaxy-Rn

1803676

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1803676&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Fatty Acyls
      • Subclass Fatty acid esters
        • Level5 Wax esters
          • Level6 Wax monoesters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Wax esters
• Direct Parent: Wax monoesters
• Alternative Parents: Fatty alcohol esters Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Wax monoester skeleton - Fatty alcohol ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as wax monoesters. These are waxes bearing an ester group at exactly one position.
• External Descriptors: Wax monoesters

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): 41℃
• 분자량: 452.800 g/mol
• XLogP3: 14.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 28
• Exact Mass: 452.459 Da
• Monoisotopic Mass: 452.459 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 353.000
• 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: 1

자주 묻는 질문

How should this product be stored?

Store at room temperature.

What is the purity of this product, and how is it determined?

This product is supplied at ≥60% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 5303-25-3, the molecular formula is C30H60O2, and the molecular weight is 452.81 g/mol. InChIKey JRTVEUGOGWTHTR-UHFFFAOYSA-N.

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.