Isoeugenol

CAS Number: 97-54-1

Molecular Formula: C10H12O2

buy isoeugenol onlineisoeugenol wholesale supplierfragrance grade isoeugenolisoeugenol for perfume manufacturefood grade isoeugenol FEMA 2468high purity isoeugenol 98%

About Isoeugenol

2-Methoxy-4-propenylphenol (CAS 97-54-1) serves as a critical phenolic intermediate in the API intermediates market, primarily utilized for the synthesis of vanillin and various bioactive derivatives. As a leading bulk chemical supplier, we observe that CDMOs are increasingly demanding high-purity fine chemicals (Pharm...

Synonyms

2-methoxy-4-propenylphenol
isoeugenol
isoeugenol, (E)-isomer
isoeugenol, (Z)-isomer
isoeugenol, sodium salt

View all

Isoeugenol Specifications

CAS Number

97-54-1

Molecular Formula

C10H12O2

Molecular Weight

164.20 g/mol

IUPAC Name

2-methoxy-4-[(E)-prop-1-enyl]phenol

Canonical SMILES

CC=CC1=CC(=C(C=C1)O)OC

InChI Key

BJIOGJUNALELMI-ONEGZZNKSA-N

InChI

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

EINECS Number

202-590-7

MDL Number

MFCD00009285

HSN No

29095020

CAS Number

97-54-1

Molecular Formula

C10H12O2

Molecular Weight

164.20 g/mol

IUPAC Name

2-methoxy-4-[(E)-prop-1-enyl]phenol

Canonical SMILES

CC=CC1=CC(=C(C=C1)O)OC

InChI Key

BJIOGJUNALELMI-ONEGZZNKSA-N

InChI

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

EINECS Number

202-590-7

MDL Number

MFCD00009285

HSN No

29095020

melting_point

14 °F (NTP, 1992)

boiling_point

511 °F at 760 mmHg (NTP, 1992)

solubility

Slightly soluble (NTP, 1992)

density

1.08 at 77 °F (NTP, 1992) - Denser than water; will sink

logP

log Kow = 3.04

Molecular Weight

164.20 g/mol

Melting Point

33°C (trans), -10°C (mixture)

Boiling Point

266 °C

Freezing point

14 °F

Flash Point

235°F (112.78°C)

pKa

9.88

PSA

29.5 Å²

Average mass

164.20 g/mol

Monoisotopic mass

164.083729621 Da

Molar mass

164.20 g/mol

Vapour pressure

0.02 mmHg at 25 °C

Precautionary Statement Codes

P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P312, P330, P333+P313, P337+P313, P362, P403+P233, P405, and P501

Hazard Classes and Categories

Acute Tox. 4 (100%), Skin Irrit. 2 (100%), Eye Irrit. 2A (100%), Skin Sens. 1A (100%), and STOT SE 3 (100%)

Fragrance and Cosmetic Industry

Isoeugenol is utilized as a primary fragrance ingredient and masking agent in perfumes, soaps, and lotions, providing a long-lasting warm and spicy clove-like aroma

Chemical Manufacturing

The compound serves as a key chemical intermediate and starting material in the synthesis of vanillin through biological or chemical oxidation processes

Food and Flavor Industry

It is employed as a food flavoring agent in confectionery and beverages to impart sweet and spicy notes, and is used as a natural preservative due to its mold-inhibiting properties in processed meats and cheeses

Pharmaceutical and Biochemical Research

Isoeugenol acts as a reference material in R&D for developing floral blends and is investigated for its antimicrobial properties against pathogens like Escherichia coli and Salmonella enterica.