trans-4-Ethoxy-phenyl 4-butylcyclohexanecarboxylate - ≥98% , CAS No.67589-47-3

CAS: 67589-47-3 Cat. No.: T347332 분자식: C₁₉H₂₈O₃ 분자량: 304.43 PubChem CID: 105459

등급 & 순도 ≥98%

Synonyms

SCHEMBL2785540 | SCHEMBL2604713 | EN300-17405 | Oprea1_361980 | SR-01000388956 | 4-ethoxyphenyl 4-butylcyclohexane-1-carboxylate | DS-13319 | ChemDiv3_000315 | JAYBMJPZPJBTQZ-WKILWMFISA-N | 4-Ethoxyphenyl trans-4-butylcyclohexanoate | AKOS000511680 | AB01

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

사양

동의어

SCHEMBL2785540 | SCHEMBL2604713 | EN300-17405 | Oprea1_361980 | SR-01000388956 | 4-ethoxyphenyl 4-butylcyclohexane-1-carboxylate | DS-13319 | ChemDiv3_000315 | JAYBMJPZPJBTQZ-WKILWMFISA-N | 4-Ethoxyphenyl trans-4-butylcyclohexanoate | AKOS000511680 | AB01

사양 및 순도

≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

Pubchem Sid

504756600

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756600

정식 스마일

CCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)OCC

IUPAC Name

(4-ethoxyphenyl) 4-butylcyclohexane-1-carboxylate

InChIKey

JAYBMJPZPJBTQZ-UHFFFAOYSA-N

INCHI

1S/C19H28O3/c1-3-5-6-15-7-9-16(10-8-15)19(20)22-18-13-11-17(12-14-18)21-4-2/h11-16H,3-10H2,1-2H3

이성체 SMILES

CCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)OCC

PubChem CID

105459

MeSH 용어

C19H28O3

분자량

304.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenol esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol esters
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
• 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
• 발화점(°C): 174 °C
• 녹는점(°C): 38 °C
• 분자량: 304.400 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 304.204 Da
• Monoisotopic Mass: 304.204 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 313.000
• 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

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 ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 67589-47-3, the molecular formula is C19H28O3, and the molecular weight is 304.43 g/mol. InChIKey JAYBMJPZPJBTQZ-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.