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Isoeugenol

Isoeugenol

CAS Number: 97-54-1

Molecular Formula: C10H12O2

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About Isoeugenol

Isoeugenol (CAS 97-54-1) serves as a vital component in the API intermediates market, primarily utilized as a high purity fine chemicals precursor for the synthesis of vanillin and various pharmaceutical compounds where a Pharma/API purity 99% is required to meet rigorous American Chemical Society standards. 2-Methoxy-...

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
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 Ų
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.

  1. 2-methoxy-4-propenylphenol
  2. isoeugenol
  3. isoeugenol, (E)-isomer
  4. isoeugenol, (Z)-isomer
  5. isoeugenol, sodium salt

Isoeugenol FAQs

Minimum Order Quantity

25 kg (evaluation) · 1 MT (commercial)

Lead Time

3 – 5 weeks estimated

Delivery Terms

FOB*

Packaging

20 L pails, 200 L HDPE drums, 1000 L IBC

US Availability

US Facility Inventory

Documentation

US SDS · COA · TDS · Specification sheet

US Regulatory & Quality Information

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California Prop 65*

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