5-Hydroxyvanillin - ≥95% , CAS No.3934-87-0

CAS: 3934-87-0 Cat. No.: H193175 분자식: C₈H₈O₄ 분자량: 168.15 EC 번호: 223-513-3

등급 & 순도 ≥95%

Synonyms

3,4-Dihydroxy-5-methoxybenzaldehyde | 3,4-dihydroxy-5-methoxy-benzaldehyde | Benzaldehyde, 3,4-dihydroxy-5-methoxy- | Protocatechualdehyde, 5-methoxy- | 3,4-Dihydroxy-4-methoxybenzaldehyde | 3,4-Dihydroxy-5-methoxybenzaldehyde, 96% | SCHEMBL1001955 | 4,5-

Storage

Room temperature

Shipped In

Normal

개요

3,4-Dihydroxy-5-methoxybenzaldehyde can be obtained by reactting 5-iodovaniliin with sodium hydroxide and copper sulfate solution

사양

동의어

3,4-Dihydroxy-5-methoxybenzaldehyde | 3,4-dihydroxy-5-methoxy-benzaldehyde | Benzaldehyde, 3,4-dihydroxy-5-methoxy- | Protocatechualdehyde, 5-methoxy- | 3,4-Dihydroxy-4-methoxybenzaldehyde | 3,4-Dihydroxy-5-methoxybenzaldehyde, 96% | SCHEMBL1001955 | 4,5-

사양 및 순도

≥95%

보관 조건

Room temperature

배송

Normal

순수함

≥95%

이름과 식별자

Pubchem Sid

488185419

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185419

정식 스마일

COC1=CC(=CC(=C1O)O)C=O

IUPAC Name

3,4-dihydroxy-5-methoxybenzaldehyde

InChIKey

RRKMWVISRMWBAL-UHFFFAOYSA-N

INCHI

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

이성체 SMILES

COC1=CC(=CC(=C1O)O)C=O

WGK 독일

3

RTECS

CU5620000

분자량

168.15

Reaxy-Rn

1956546

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1956546&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Hydroxybenzaldehydes Phenoxy compounds Methoxybenzenes Catechols Benzoyl derivatives Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Hydroxybenzaldehyde - Phenoxy compound - Anisole - Benzaldehyde - Methoxybenzene - Phenol ether - Catechol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Aryl-aldehyde - Monocyclic benzene moiety - Ether - Aldehyde - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol 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

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작용 메커니즘

화학 및 물리적 특성

• 녹는점(°C): 131-134 °C
• 분자량: 168.150 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 168.042 Da
• Monoisotopic Mass: 168.042 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 159.000
• 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 ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 3934-87-0, the molecular formula is C8H8O4, and the molecular weight is 168.15 g/mol. InChIKey RRKMWVISRMWBAL-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.