Sesamol

CAS Number: 533-31-3

Molecular Formula: C7H6O3

Purity: 99.8% Sesamol

About Sesamol

Sesamol (CAS No. 533-31-3) is a high-value natural phenolic derivative that serves as a cornerstone in the global speciality chemicals market, primarily distinguished by its potent antioxidant and antimicrobial properties which drive substantial demand across the pharmaceutical, nutraceutical, and cosmetic sectors. Val...

Sesamol Specifications

CAS Number

533-31-3

Molecular Formula

C7H6O3

Molecular Weight

138.12 g/mol

IUPAC Name

2H-1,3-Benzodioxol-5-ol

Canonical SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O

InChI Key

LUSZGTFNYDARNI-UHFFFAOYSA-N

InChI

InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2

PubChem CID

68289

EINECS Number

208-561-5

MDL Number

MFCD00005827

HSN No

29329900

CAS Number

533-31-3

Molecular Formula

C7H6O3

Molecular Weight

138.12 g/mol

IUPAC Name

2H-1,3-Benzodioxol-5-ol

Canonical SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O

InChI Key

LUSZGTFNYDARNI-UHFFFAOYSA-N

InChI

InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2

PubChem CID

68289

EINECS Number

208-561-5

MDL Number

MFCD00005827

HSN No

29329900

Molecular Weight

138.12 g/mol

Purity

99.8% Sesamol

Physical appearance

White to light yellow to light orange powder to crystal

Melting Point

62-65 °C

Boiling Point

274ºC at 760 mmHg

Flash Point

119.5 °C

Density

1.394 g/cm3

pKa

9.79

Precise Quality

138.03200

PSA

38.69 Å²

logP

1.29

Precautionary Statement Codes

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501

Hazard Classes and Categories

Skin Sens. 1 (96.4%) Eye Irrit. 2A (100%)

Pharmaceutical Intermediate

A critical building block used for the synthesis of active pharmaceutical ingredients (APIs) such as paroxetine, antihypertensive, and cardiovascular drugs

Antioxidant and Preservative

A natural phenolic compound used to prevent lipid peroxidation and spoilage in oils and food products

Therapeutic Agent

A bioactive compound researched for its antioxidant, anti-inflammatory, and neuroprotective potential in treating neurodegenerative and metabolic diseases

Chemical Intermediate

A versatile aromatic phenol used in the industrial preparation of anti-mold agents, anti-bacterial agents, and high-grade cosmetic ingredients like hair conditioners