ChemicalBook--->CAS DataBase List--->533-31-3

533-31-3

533-31-3 Structure

533-31-3 Structure
IdentificationMore
[Name]

Sesamol
[CAS]

533-31-3
[Synonyms]

1,3-BENZODIOXOL-5-OL
3,4-METHYLENDIOXYPHENOL
3,4-METHYLENEDIOXYPHENOL
3,4-(METHYLENEDIOXY)PHENOL, SESAMOL
5-BENZODIOXOLOL
5-HYDROXY-1,3-BENZODIOXOLE
BENZO[1,3]DIOXOL-5-OL
SESAMOL
3,4-(methylenedioxy)-pheno
Methylene ether of oxyhydroquinone
methyleneetherofoxyhydroquinone
Phenol, 3,4-(methylenedioxy)-
SESAMOL 99+%
Sesamol (Paroxetine intermediate)
Sesamol,98%
SESAMOL(RG)
3,4-(Methylenedioxy)phenol, 5-Benzodioxolol
3,4-(Methylenebisoxy)phenol
5-Hydroxy-1,2-methylenedioxybenzene
[EINECS(EC#)]

208-561-5
[Molecular Formula]

C7H6O3
[MDL Number]

MFCD00005827
[Molecular Weight]

138.12
[MOL File]

533-31-3.mol
Chemical PropertiesBack Directory
[Appearance]

off-white to beige crystalline powder
[Melting point ]

62-65 °C (lit.)
[Boiling point ]

113-116°C 2mm
[density ]

1.2112 (rough estimate)
[refractive index ]

1.4850 (estimate)
[Fp ]

113-116°C/2mm
[storage temp. ]

−20°C
[solubility ]

Chloroform, Methanol
[form ]

crystalline
[pka]

10.08±0.20(Predicted)
[color ]

off-white to tan
[Water Solubility ]

slightly soluble
[Sensitive ]

Light Sensitive
[BRN ]

127405
[InChIKey]

LUSZGTFNYDARNI-UHFFFAOYSA-N
[LogP]

1.253 (est)
[CAS DataBase Reference]

533-31-3(CAS DataBase Reference)
[NIST Chemistry Reference]

1,3-Benzodioxol-5-ol(533-31-3)
[EPA Substance Registry System]

533-31-3(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

SM0890000
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HS Code ]

29329970
[Hazardous Substances Data]

533-31-3(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sulfuric acid
[Preparation Products]

Pentoxyverine-->(-)-Maackiain-->6-(Piperidin-1-yl(3,4,5-trimethoxyphenyl)methyl)benzo[d][1,3]dioxol-5-ol-->1,3-Benzodioxole, 5-bromo-6-(phenylmethoxy)--->1,3-Benzodioxol-5-ol,6-[1-pyrrolidinyl(3,4,5-trimethoxyphenyl)methyl]--->N-Methylparoxetine
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

5-Benzodioxolol(533-31-3).msds
Questions And AnswerBack Directory
[Description]

Sesamol is found in sesame seeds and sesame oil. It is a well-known antioxidant. It has antioxidant, chemoprevention, antimutagenic, and antihepatotoxic activities and can induce the apoptosis of cancer and cardiovascular cells. It can be used in the synthesis of paroxetine.
[Reference]

  • M. A. Ansari, Z. Fatima, S. Hameed, Sesamol: A Natural Phenolic Compound with Promising Anticandidal Potential, Journal of Pathogens, vol. 2014, Article ID 895193
  • T. Geetha, B. Rohit, K. Pal, Sesamol: an efficient antioxidant with potential therapeutic benefits, Medicinal Chemistry, 2009, vol. 5, pp. 367-371
Hazard InformationBack Directory
[Chemical Properties]

off-white to beige crystalline powder
[Uses]

Sesamol is a natural component of sesame oil with antioxidant activity. Sesamol has potential protective effects against free radicals as well as some antifungal activity. Sesamol can also be used as an intermediate in the preparation of antidepressants such as Paroxetine (P205750).
[Definition]

ChEBI: Sesamol is a member of benzodioxoles.
[Synthesis Reference(s)]

Tetrahedron Letters, 19, p. 3085, 1978 DOI: 10.1016/S0040-4039(01)94947-0
[General Description]

Sesamol, a principal phytophenol of sesame oil lignans, is typically used as a dietary compound.(10)
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

Sesamol(533-31-3)MS
Sesamol(533-31-3)1HNMR
Sesamol(533-31-3)13CNMR
Sesamol(533-31-3)IR1
Sesamol(533-31-3)IR2
Sesamol(533-31-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Sesamol, 98%(533-31-3)
[Alfa Aesar]

Sesamol, 98%(533-31-3)
[Sigma Aldrich]

533-31-3(sigmaaldrich)
[TCI AMERICA]

Sesamol,>98.0%(GC)(533-31-3)
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