2-Methoxy-4-vinylphenol

2-Methoxy-4-vinylphenol
Compound Structure:
Synonyms: 2-Methoxy-4-vinylphenol;7786-61-0;4-vinylguaiacol;p-Vinylguaiacol;4-ETHENYL-2-METHOXYPHENOL;4;Hydroxy-3-methoxystyrene;Phenol, 4-ethenyl-2-methoxy-;o-methoxy-p-vinylphenol;para-vinylguaiacol;Guaiacol, 4-vinyl-;p-Vinyl guaiacol;4-vinyl-2-methoxyphenol;Phen
Compound ID: NMPC-256
PubChem ID:

332
Molecular Formula: C9H10O2
Canonical SMILES: COC1=C(C=CC(=C1)C=C)O
InChIKey: YOMSJEATGXXYPX-UHFFFAOYSA-N
About the compound:

2-Methoxy-4-vinylphenol is a compound belonging to the phenol class, specifically an analogue of guaiacol in which the hydrogen atom para to the hydroxy group is replaced by a vinyl group. It serves various roles, including functioning as a pheromone, a flavoring agent, and a plant metabolite. This compound is found naturally in plants like Coffea arabica, where it contributes to the overall flavor and aroma. Additionally, 4-vinylguaiacol, a related metabolite, is found in or produced by Saccharomyces cerevisiae.

GHS Hazard Statements

• H314 (87.08%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

• H315 (12.92%): Causes skin irritation [Warning Skin corrosion/irritation]

• H319 (12.92%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H335 (21.79%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

150.17 g/mol

XLogP3

2.4

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

2

Exact Mass

150.068079557 g/mol

Monoisotopic Mass

150.068079557 g/mol

Topological Polar Surface Area

29.5Ų

Heavy Atom Count

11

Formal Charge

0

Complexity

134

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Colourless or pale straw oily liquid, powerful, spicy, clove-like roasted peanut odour

Density

1.090-1.096

Solubility 

insoluble in water; soluble in oils

Source: PubChem
Source Species: Dioclea reflexa
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