Sesamol

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Names

[ CAS No. ]:
533-31-3

[ Name ]:
Sesamol

[Synonym ]:
5-Benzodioxolol
MFCD00005827
5-Hydroxy-1,3-benzodioxole
EINECS 208-561-5
Phenol, 3,4- (methylenedioxy)-
Sesamol
4,5-methylenedioxyphenol
3,4-Methylenedioxyphenol
1-hydroxy-3,4-methylenedioxybenzene
4-hydroxy-1,2-methylenedioxy-benzene
5-hydroxy-1,3-benzodioxolane
3,4-(Methylenedioxy)phenol
Methylene ether of oxyhydroquinone
1,3-benzodioxol-5-ol

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
274.0±29.0 °C at 760 mmHg

[ Melting Point ]:
62-65 °C(lit.)

[ Molecular Formula ]:
C7H6O3

[ Molecular Weight ]:
138.121

[ Flash Point ]:
119.5±24.3 °C

[ Exact Mass ]:
138.031693

[ PSA ]:
38.69000

[ LogP ]:
1.52

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.609

[ Storage condition ]:
−20°C

[ Water Solubility ]:
slightly soluble

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SM0890000
CHEMICAL NAME :
Phenol, 3,4-(methylenedioxy)-
CAS REGISTRY NUMBER :
533-31-3
BEILSTEIN REFERENCE NO. :
0127405
LAST UPDATED :
199709
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C7-H6-O3
MOLECULAR WEIGHT :
138.13
WISWESSER LINE NOTATION :
T56 BO DO CHJ GQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
874 gm/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors
REFERENCE :
JJCREP Japanese Journal of Cancer Research. (Elsevier Science Pub. BV, POB 211, 1000 AE Amsterdam, Netherlands) V.76- 1985- Volume(issue)/page/year: 83,1279,1992
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1092 gm/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors
REFERENCE :
JJCREP Japanese Journal of Cancer Research. (Elsevier Science Pub. BV, POB 211, 1000 AE Amsterdam, Netherlands) V.76- 1985- Volume(issue)/page/year: 83,1279,1992
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1612 gm/kg/96W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors
REFERENCE :
JJCREP Japanese Journal of Cancer Research. (Elsevier Science Pub. BV, POB 211, 1000 AE Amsterdam, Netherlands) V.76- 1985- Volume(issue)/page/year: 81,207,1990
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1092 gm/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors
REFERENCE :
JJCREP Japanese Journal of Cancer Research. (Elsevier Science Pub. BV, POB 211, 1000 AE Amsterdam, Netherlands) V.76- 1985- Volume(issue)/page/year: 81,207,1990

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
SM0890000

[ HS Code ]:
2932999099

Synthetic Route

Precursor & DownStream

Precursor

  • 5-propionyloxy-benzo[1,3]dioxole
  • 3,4-Methylenedioxyphenyl ethyl ketone
  • piperonal
  • PHENOL, 3,4-(METHYLENEDIOXY)-, FORMATE
  • 1,3-Benzodioxole
  • 5-((2-methoxyethoxy)methoxy)benzo[d][1,3]dioxole
  • 1,3-Benzodioxole,5-chloro-
  • 3,4-(METHYLENEDIOXY)PHENYLMAGNESIUM BROMIDE
  • Methanol

DownStream

  • 1,3-Benzodioxole, 5-(methoxymethoxy)-
  • 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzodioxole
  • Kakuol
  • 6-Hydroxy-7-methyl-1,3-benzodioxole-5-carbaldehyde
  • benzo[1,3]dioxole-5,6-dione
  • 6-methoxy-1,3-benzodioxol-5-ol
  • methyl 2-(1,3-benzodioxol-5-yloxy)acetate
  • 5-(methoxymethoxy)-4-methyl-1,3-benzodioxole
  • 1,3-Benzodioxole,5-methoxy-6-(2-propen-1-yl)-
  • Trabectedin

Customs

[ HS Code ]: 2932999099

[ Summary ]:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles

Synthesis and photopolymerization kinetics of benzophenone sesamol one-component photoinitiator.

Photochem. Photobiol. Sci. 12(2) , 323-9, (2013)

A benzodioxole derivative, 4-(2-(benzodioxol-5-yloxy)ethoxy)benzophenone (BPC2BDO), based on 4-hydroxybenzophenone and sesamol was synthesized, and used as a one-component Type II photoinitiator. The ...

Comparison of the simple cyclic voltammetry (CV) and DPPH assays for the determination of antioxidant capacity of active principles.

Molecules 17(5) , 5126-38, (2012)

Antioxidant activity of a number of small (low molecular weight) natural compounds found in spices, condiments or drugs (gallic acid, sesamol, eugenol, thymol, carvacrol, vanillin, salicylaldehyde, li...

The interaction of sesamol with DNA and cytotoxicity, apoptosis, and localization in HepG2 cells.

Food Chem. 141(1) , 289-96, (2013)

Sesamol, a nutritional antioxidant phenolic compound present in sesame seed, has a potential therapeutic molecule effect against cancers. In this study, the interaction between sesamol and DNA was inv...


More Articles


Related Compounds

  • Sesamol
  • SESAMOL(RG)
  • O-MOM-sesamol
  • 5-Brom-sesamol
  • methyl sesamol
  • sesamol radical
  • 2-[({1-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]cyclobutyl}formamido)oxy]propanoic acid
  • (2S)-1-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanoyl]-2-methylpyrrolidine-2-carboxylic acid
  • 1-{1-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]cyclopropanecarbonyl}-4,4-dimethylpyrrolidine-3-carboxylic acid
  • 1-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylbutanoyl]-4,4-dimethylpyrrolidine-3-carboxylic acid
  • 1-[(3R)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanoyl]piperidine-3-carboxylic acid
  • 1-[(3R)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanoyl]-2-methylpyrrolidine-2-carboxylic acid
  • 2-{4-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylbutanamido]oxan-4-yl}acetic acid
  • 2-[N-(2,2-dimethylpropyl)-1-[5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1H-1,2,4-triazol-3-yl]formamido]acetic acid
  • rac-2-({[(1R,5S)-5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclohex-3-en-1-yl]formamido}methyl)-2-methylbutanoic acid
  • rac-(1R,5S)-5-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methoxypropanamido]cyclohex-3-ene-1-carboxylic acid
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