Isoeugenol

CAT: 0804-HY-N1952-01Size: 10 gDry Ice: NoHazardous: No

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CAT#:0804-HY-N1952-01Size:10 g

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Description

Isoeugenol is an essential oil constituent of nutmeg, clove, and cinnamon. Isoeugenol inhibits growth of Escherichia coli and Listeria innocua with MICs of 0.6 mg/mL and 1 mg/mL, respectively[1].

CAS Number

97-54-1

Product Name Alternative

Iso-Eugenol

UNSPSC

12352005

Hazard Statement

H317

Target

Bacterial

Type

Natural Products

Related Pathways

Anti-infection

Applications

COVID-19-immunoregulation

Field of Research

Infection

Assay Protocol

https://www.medchemexpress.com/isoeugenol.html

Concentration

10mM

Purity

95.0

Solubility

DMSO : 200 mg/mL (ultrasonic)

Smiles

OC1=CC=C(/C=C/C)C=C1OC

Molecular Formula

C10H12O2

Molecular Weight

164.20

Precautions

H317

References & Citations

[1]Hyldgaard M, et al. Isoeugenol has a non-disruptive detergent-like mechanism of action.Front Microbiol. 2015 Jul 28;6:754.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

Isoeugenol

Isoeugenol is a phenylpropanoid that is an isomer of eugenol in which the allyl substituent is replaced by a prop-1-enyl group. It has a role as a sensitiser and an allergen. It is an alkenylbenzene and a phenylpropanoid. It is functionally related to a guaiacol.

CAS Number	97-54-1
PubChem CID	853433
IUPAC Name	2-methoxy-4-[(E)-prop-1-enyl]phenol
Molecular Formula	C10H12O2
Molecular Weight	164.20
XLogP	2.6
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	154

SMILES

C/C=C/C1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+

InChIKey

BJIOGJUNALELMI-ONEGZZNKSA-N

Chemical Structure

2D Structure

CAS: 97-54-1

CID: 853433

Formula: C10H12O2

MW: 164.20

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	164.20
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	164.083729621
Monoisotopic Mass	164.083729621
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	154
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
T2S0493-01	Isoeugenol
T2S0491-01	Isoeugenol acetate
MBS3610352-01	Methyl isoeugenol
A17766-25000	Isoeugenol 25g
371586	Isoeugenol discontinued

Isoeugenol

Chemical Information

Alternative Products

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