Elemicin - ≥95% , CAS No.487-11-6

CAS: 487-11-6 Cat. No.: E184738 Formule: C₁₂H₁₆O₃ Poids moléculaire: 208.3 Numéro CE: 207-649-0

QUALITÉ & PURETÉ ≥95%

Synonyms

1,2,3-Trimethoxy-5-[2-propenyl]-benzene | AI3-20815 | MFCD01656688 | Elemicine | CHEBI:4771 | BENZENE, 5-ALLYL-1,2,3-TRIMETHOXY- | CCG-266643 | EINECS 207-649-0 | 3,4, 5-Trimethoxyallylbenzene | BPLQKQKXWHCZSS-UHFFFAOYSA-N | A827594 | HY-N6807 | 5-Allyl-1

Storage

Store at 2-8°C

Shipped In

Wet ice

Spécifications

Synonymes

1,2,3-Trimethoxy-5-[2-propenyl]-benzene | AI3-20815 | MFCD01656688 | Elemicine | CHEBI:4771 | BENZENE, 5-ALLYL-1,2,3-TRIMETHOXY- | CCG-266643 | EINECS 207-649-0 | 3,4, 5-Trimethoxyallylbenzene | BPLQKQKXWHCZSS-UHFFFAOYSA-N | A827594 | HY-N6807 | 5-Allyl-1

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

Pubchem Sid

504751921

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751921

Sourires canoniques

COC1=CC(=CC(=C1OC)OC)CC=C

IUPAC Name

1,2,3-trimethoxy-5-prop-2-enylbenzene

InChIKey

BPLQKQKXWHCZSS-UHFFFAOYSA-N

INCHI

1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3

Isomères SMILES

COC1=CC(=CC(=C1OC)OC)CC=C

Poids moléculaire

208.3

Reaxy-Rn

1912664

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1912664&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• External Descriptors: Monolignols

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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RAW264.7 (28094 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 208.250 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 208.11 Da
• Monoisotopic Mass: 208.11 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 179.000
• 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

Foire aux questions

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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. 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 487-11-6, the molecular formula is C12H16O3, and the molecular weight is 208.3 g/mol. InChIKey BPLQKQKXWHCZSS-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.