2-Methoxy-4-(1-propyl)phenol - ≥98% , CAS No.2785-87-7

CAS: 2785-87-7 Cat. No.: M192495 Molecular Weight: 166.22 EC Number: 220-499-0

GRADE & PURITY ≥98%

Synonyms

p-Propylguaiacol | Propylguaiacol, p- | A819218 | 4-hydroxy-3-methoxypropyl benzene | 4-propyl guaicol | CAA78587 | 1-Propyl-3-methoxy-4-hydroxybenzene | 4-06-00-05976 (Beilstein Handbook Reference) | eugenyl dihydro | VS-02191 | WLN: QR D3 BO1 | CAS-2785

Storage

Room temperature

Shipped In

Normal

Overview

Product description
2-Methoxy-4-propylphenol is a volatile phenolic flavor compound identified in Bordeaux wines, liquid smoke, karanda fruit{9 5} and oregano.

Product Usage
Potential applications include the profile enhancement of smoke flavors, clove, spicy nuances for cinnamon and pepper, vanilla, and fruit nuances.

Specifications

Synonyms

p-Propylguaiacol | Propylguaiacol, p- | A819218 | 4-hydroxy-3-methoxypropyl benzene | 4-propyl guaicol | CAA78587 | 1-Propyl-3-methoxy-4-hydroxybenzene | 4-06-00-05976 (Beilstein Handbook Reference) | eugenyl dihydro | VS-02191 | WLN: QR D3 BO1 | CAS-2785

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Odor at 1.0% Taste at 10 ppm

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488182409
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182409
• Canonical Smiles: CCCC1=CC(=C(C=C1)O)OC
• IUPAC Name: 2-methoxy-4-propylphenol
• InChIKey: PXIKRTCSSLJURC-UHFFFAOYSA-N
• INCHI: 1S/C10H14O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7,11H,3-4H2,1-2H3
• Isomeric SMILES: CCCC1=CC(=C(C=C1)O)OC
• Molecular Weight: 166.22
• Reaxy-Rn: 1866292
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1866292&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Phenylpropanes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Phenylpropane - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - 1-hydroxy-2-unsubstituted benzenoid - 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 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

Associated Targets(Human)

L132 (227 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Aspergillus fumigatus (16427 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: n20/D 1.522 (lit.)
• Boil Point(°C): 125-126 °C/14 mmHg (lit.)
• Molecular Weight: 166.220 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 166.099 Da
• Monoisotopic Mass: 166.099 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 125.000
• 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

References

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