Isostearic acid - ≥97% , CAS No.2724-58-5

CAS: 2724-58-5 Cat. No.: I346319 분자식: C₁₈H₃₆O₂ 분자량: 284.48 EC 번호: 220-336-3

GRADE & PURITY ≥97%

Synonyms

16-METHYLHEPTADECANOIC ACID | 16-methyl-heptadecanoic acid | CAS-30399-84-9 | DSSTox_CID_7963 | Heptadecanoic acid, 16-methyl- | EINECS 220-336-3 | ISOSTEARIC ACID | AS-57253 | XDOFQFKRPWOURC-UHFFFAOYSA-N | UNII-LZM5XA0ILL | Tox21_302276 | LZM5XA0ILL | Pr

Storage

Store at 2-8°C

Shipped In

Wet ice

개요

Isostearic acid is used in the synthesis of methyl-branched poly(hydroxyalkanoate)s, biosurfactants and silver nanoparticles.

Specifications

동의어

16-METHYLHEPTADECANOIC ACID | 16-methyl-heptadecanoic acid | CAS-30399-84-9 | DSSTox_CID_7963 | Heptadecanoic acid, 16-methyl- | EINECS 220-336-3 | ISOSTEARIC ACID | AS-57253 | XDOFQFKRPWOURC-UHFFFAOYSA-N | UNII-LZM5XA0ILL | Tox21_302276 | LZM5XA0ILL | Pr

사양 및 순도

≥97%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥97%

이름과 식별자

• Pubchem Sid: 504753059
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753059
• 정식 스마일: CC(C)CCCCCCCCCCCCCCC(=O)O
• IUPAC Name: 16-methylheptadecanoic acid
• InChIKey: XDOFQFKRPWOURC-UHFFFAOYSA-N
• INCHI: 1S/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
• 이성체 SMILES: CC(C)CCCCCCCCCCCCCCC(=O)O
• WGK 독일: 3
• RTECS: MI3875000
• 대체 CAS: 30399-84-9
• 분자량: 284.48
• Reaxy-Rn: 1782699
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1782699&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: Long-chain fatty acids
• Alternative Parents: Methyl-branched fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-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
• 설명: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
• External Descriptors: Branched fatty acids

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

관련 대상(인간)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PPARA Tclin Peroxisome proliferator-activated receptor alpha (9197 Activities)

Discover Target: PPARA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CRABP2 Tchem Cellular retinoic acid-binding protein II (10 Activities)

Discover Target: CRABP2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in Chloroform: 50 mg/mL
• 분자량: 284.500 g/mol
• XLogP3: 7.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 284.272 Da
• Monoisotopic Mass: 284.272 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 211.000
• 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

참고 문헌

1. Lingqiang Kong, Zipeng Qin, Shoujia Li, Ying Liu, Han Cao, Yuhang Han, Pengyu Bi, Hongwei Zhao, Hongchao Ma, Meiwen Cao.  (2026)  Ionic Oligomer-Mediated High-Concentration Dissolution of Inorganic Ammonium Perchlorate in Organic Solvents for Controllable Fabrication of Ultrafine Particles with Enhanced Energetic Performance.  LANGMUIR,      [PMID:41700676] [10.1021/acs.langmuir.5c06425]