Ethyl stearate - ≥97% , CAS No.111-61-5

CAS: 111-61-5 Cat. No.: E118827 분자식: CH₃(CH₂)₁₆COOC₂H₅ 분자량: 312.53 Beilstein Registry Number: 1788183 EC 번호: 203-887-4

GRADE & PURITY ≥97%

Synonyms

Ethyl stearate, >=99% (capillary GC) | SCHEMBL24287 | Ethyl octadecanoate | QSPL 080 | Ethyl n-octadecanoate | HMS3650O05 | LMFA07010883 | Dicyclohexylammonium sulphate | J-002604 | MFCD00009006 | ETHYL OCTADECANOATE [FHFI] | ETHYL STEARATE [USP-RS] | eth

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

Ethyl stearate, >=99% (capillary GC) | SCHEMBL24287 | Ethyl octadecanoate | QSPL 080 | Ethyl n-octadecanoate | HMS3650O05 | LMFA07010883 | Dicyclohexylammonium sulphate | J-002604 | MFCD00009006 | ETHYL OCTADECANOATE [FHFI] | ETHYL STEARATE [USP-RS] | eth

사양 및 순도

≥97%

보관 조건

Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

• Pubchem Sid: 504751590
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751590
• 정식 스마일: CCCCCCCCCCCCCCCCCC(=O)OCC
• IUPAC Name: ethyl octadecanoate
• InChIKey: MVLVMROFTAUDAG-UHFFFAOYSA-N
• INCHI: 1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h3-19H2,1-2H3
• 이성체 SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC
• WGK 독일: 2
• RTECS: WI3600000
• 분자량: 312.53
• Beilstein: 1788183
• Reaxy-Rn: 1788183
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1788183&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid 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 fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• External Descriptors: long-chain fatty acid ethyl ester

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

• 발화점(°F): 235.4 °F
• 발화점(°C): >110℃
• 끓는점(°C): 213-215°C
• 녹는점(°C): 33-35°C
• 분자량: 312.500 g/mol
• XLogP3: 8.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 18
• Exact Mass: 312.303 Da
• Monoisotopic Mass: 312.303 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 226.000
• 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. Yu Lishuang, Zou Cheng, Li Qingyun, Liu Zhaoming, Liu Youyan, Tang Aixing.  (2023)  Improving efficiency and reducing enzyme inactivation during lipase-mediated epoxidation of α-pinene in a double-phase reaction system.  BIOPROCESS AND BIOSYSTEMS ENGINEERING,  46  (9): (1331-1340).  [PMID:37470869] [10.1007/s00449-023-02902-4]

2. Hualiang Xu, Liang Jiang, Anqian Yuan, Zhengkai Wei, Yuan Lei, Yuechuan Wang, Weibo Kong, Xiaowei Fu, Jingxin Lei.  (2022)  Facile preparation of reversible thermochromic phase change materials towards temperature-controlled information storage and self-reporting.  Journal of Energy Storage,      [PMID:] [10.1016/j.est.2022.104292]

3. Huiman Zhang, Lele Sun, Peng Wang, Jiaoxin Xie, Yuan Guo.  (2025)  Morphology and Olfactory Recognition of Leg Sensilla in Honeybee Workers of Apis cerana cerana.  Insects,  16  (9): (961).  [PMID:41009140] [10.3390/insects16090961]