5-아세톡시메틸푸르푸랄 - ≥98%(GC) , CAS No.10551-58-3

CAS: 10551-58-3 Cat. No.: A151025 분자식: C₈H₈O₄ 분자량: 168.15 Beilstein Registry Number: 18,15 EC 번호: 234-137-4

GRADE & PURITY ≥98%(GC)

Synonyms

AKOS015913443 | 5-Acetoxymethyl-2-furaldehyde, 99% | 5-acetoxymethyl-2-furanaldehyde | 5-Formylfurfuryl acetate | InChI=1/C8H8O4/c1-6(10)11-5-8-3-2-7(4-9)12-8/h2-4H,5H2,1H | 5-(acetyloxy) methyl-2-furancarboxaldehyde | 5-ACETOXYMETHYL-2-FURFURAL | FT-0619

Storage

20°C, 아르곤 충전 상태로 보관

Shipped In

아이스 박스 + 아이스 패드

개요

5-아세톡시메틸-2-푸랄데히드는 베리 선인장에 존재하는 휘발성 향료 화합물입니다. 모데나 전통 발사믹 식초에 존재하는 잠재적인 단맛 조절제 화합물입니다

Specifications

동의어

AKOS015913443 | 5-Acetoxymethyl-2-furaldehyde, 99% | 5-acetoxymethyl-2-furanaldehyde | 5-Formylfurfuryl acetate | InChI=1/C8H8O4/c1-6(10)11-5-8-3-2-7(4-9)12-8/h2-4H,5H2,1H | 5-(acetyloxy) methyl-2-furancarboxaldehyde | 5-ACETOXYMETHYL-2-FURFURAL | FT-0619

사양 및 순도

≥98%(GC)

보관 조건

20°C, 아르곤 충전 상태로 보관

배송

아이스 박스 + 아이스 패드

순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

528761325

정식 스마일

CC(=O)OCC1=CC=C(O1)C=O

IUPAC Name

(5-formylfuran-2-yl)methyl acetate

InChIKey

QAVITTVTXPZTSE-UHFFFAOYSA-N

INCHI

1S/C8H8O4/c1-6(10)11-5-8-3-2-7(4-9)12-8/h2-4H,5H2,1H3

이성체 SMILES

CC(=O)OCC1=CC=C(O1)C=O

WGK 독일

3

분자량

168.15

Beilstein

18,15

Reaxy-Rn

139154

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=139154&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Aryl-aldehydes
• Alternative Parents: Heteroaromatic compounds Furans Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl-aldehyde - Heteroaromatic compound - Furan - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as aryl-aldehydes. These are compounds containing an aldehyde group directly attached to an aromatic ring.
• 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: air sensitive;heat sensitive
• 발화점(°C): 108 °C
• 끓는점(°C): 122°C/2mmHg(lit.)
• 녹는점(°C): 53-55 °C
• 분자량: 168.150 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 168.042 Da
• Monoisotopic Mass: 168.042 Da
• Topological Polar Surface Area: 56.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 178.000
• 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