芝麻酚

Description

Sesamol · CAS 533-31-3 · C7H6O3. UNII 94IEA0NV89. Boiling Point: 272.00 to 274.00 °C. @ 760.00 mm Hg; Melting Point: 64.9 °C; Melting Point: 65.8 °C.

Identification

CAS Registry Number	533-31-3
PubChem CID	68289
Molecular formula	C7H6O3
IUPAC name	1,3-benzodioxol-5-ol
UNII (FDA)	94IEA0NV89

Computed Descriptors

Molecular Weight	138.12
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	138.031694049
Monoisotopic Mass	138.031694049
Topological Polar Surface Area	38.7
Heavy Atom Count	10
Formal Charge	0

Physical & Chemical Properties

Boiling Point	272.00 to 274.00 °C. @ 760.00 mm Hg
Melting Point	64.9 °C
Melting Point	65.8 °C
Dissociation Constants	pKa = 9.79
Other Experimental Properties	MP: 65.8 °C. BP: 135-140 at 13 mm Hg

Physical description & handling notes

• Light brown crystalline powder; [Alfa Aesar MSDS]
• Solid
• Crystals from chloroform/petroleum ether
• Beige crystals
• slightly
• Stable under recommended storage conditions.

Regulatory Status

Regulatory & Food Contact	CIR / INCI: Hair dyeing
GHS notification summary	3.2% (2 / 62)

GHS Hazard Classification

GHS notification summary	3.2% (2 / 62)
Reported hazard statements	H315 (83.9%), H319 (82.3%), H335 (82.3%)

Documented Uses

• Component of sesame oil; [ChemIDplus]
• Sesamol, generally regarded as the main antioxidative component in sesame oil, can be generated from sesamolin by roasting sesame seed or bleaching sesame oil ...
• Antioxidative constituents in roasted sesame seed oil were studied mainly by an antioxidative assay and HPLC analysis, in comparison with unroasted sesame seed oil. The main active constituent in fresh roasted seed oil was gamma-tocopherol, but after heating at frying temperature for 1 to 2hr, this was identified as sesamol, which was produced by hydrolysis of sesamolin that is present to a large degree in roasted sesame seed oil. This conversion of sesamolin to sesamol is catalyzed by acids.
• For more Therapeutic Uses (Complete) data for Sesamol (7 total), please visit the HSDB record page.
• Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.
• This paper reports the bioavailability of sesamol in Sprague-Dawley (SD) rats... Sesamol conjugated metabolites were widely distributed in SD rat tissues, with the highest concentrations in the liver and kidneys and the lowest in the brain. It is postulated that sesamol is incorporated into the liver first and then transported to the other tissues (lung, kidneys, and brain). The major metabolites of sesamol distributed in the lung and kidney were glucuronide and sulfate.

Synonyms

Sesamol; 533-31-3; 1,3-Benzodioxol-5-ol; 5-Hydroxy-1,3-benzodioxole; 3,4-Methylenedioxyphenol; 2H-1,3-Benzodioxol-5-Ol; Methylene ether of oxyhydroquinone; Phenol, 3,4-(methylenedioxy)-; DTXSID9021267; 94IEA0NV89; NSC-59256; DTXCID101267; RefChem:25934; 208-561-5; 3,4-(Methylenedioxy)phenol; benzo[d][1,3]dioxol-5-ol

Frequently Asked Questions

What are the CAS number and molecular formula of Sesamol?

CAS 533-31-3; molecular formula C7H6O3; molecular weight — g/mol.

What other names is Sesamol known by?

Sesamol, 533-31-3, 1,3-Benzodioxol-5-ol, 5-Hydroxy-1,3-benzodioxole, 3,4-Methylenedioxyphenol, 2H-1,3-Benzodioxol-5-Ol.

What is the regulatory status of Sesamol?

Documented regulatory listings: CIR / INCI: Hair dyeing.

Is Sesamol classified as hazardous?

3.2% of GHS notifications report no hazard classification (2 of 62).

What are the key physical properties of Sesamol?

Boiling Point: 272.00 to 274.00 °C. @ 760.00 mm Hg; Melting Point: 64.9 °C; Melting Point: 65.8 °C; Dissociation Constants: pKa = 9.79.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.