Antioxidant 245 - ≥98% , CAS No.36443-68-2

CAS: 36443-68-2 Cat. No.: A193004 분자식: C₃₄H₅₀O₈ 분자량: 586.76 EC 번호: 253-039-2

등급 & 순도 ≥98%

Synonyms

3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoic acid 2-[2-[2-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-1-oxopropoxy]ethoxy]ethoxy]ethyl ester | NCGC00255928-01 | TK 12627 | (ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl) bis(3-(3-(tert-butyl)-4-hydroxy-

Storage

Store at 2-8°C

Shipped In

Wet ice

사양

동의어

3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoic acid 2-[2-[2-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-1-oxopropoxy]ethoxy]ethoxy]ethyl ester | NCGC00255928-01 | TK 12627 | (ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl) bis(3-(3-(tert-butyl)-4-hydroxy-

사양 및 순도

≥98%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥98%

이름과 식별자

Pubchem Sid

504756080

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756080

정식 스마일

CC1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCCOCCOCCOC(=O)CCC2=CC(=C(C(=C2)C)O)C(C)(C)C

IUPAC Name

2-[2-[2-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxy]ethoxy]ethoxy]ethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate

InChIKey

QSRJVOOOWGXUDY-UHFFFAOYSA-N

INCHI

1S/C34H50O8/c1-23-19-25(21-27(31(23)37)33(3,4)5)9-11-29(35)41-17-15-39-13-14-40-16-18-42-30(36)12-10-26-20-24(2)32(38)28(22-26)34(6,7)8/h19-22,37-38H,9-18H2,1-8H3

이성체 SMILES

CC1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCCOCCOCCOC(=O)CCC2=CC(=C(C(=C2)C)O)C(C)(C)C

분자량

586.76

Reaxy-Rn

3579178

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3579178&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Phenylpropanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Ortho cresols Toluenes Fatty acid esters Dicarboxylic acids and derivatives Carboxylic acid esters Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - O-cresol - Fatty acid ester - Toluene - Phenol - Dicarboxylic acid or derivatives - Fatty acyl - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
• 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

• 감도: heat sensitive
• 녹는점(°C): 79 °C
• 분자량: 586.800 g/mol
• XLogP3: 6.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 19
• Exact Mass: 586.351 Da
• Monoisotopic Mass: 586.351 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 734.000
• 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