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500-99-2,MFCD00008388
Catalog No.:AA003IL9
500-99-2 | 3,5-Dimethoxyphenol
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1g
96%
in stock  
$15.00   $10.00
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5g
96%
in stock  
$43.00   $30.00
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25g
96%
in stock  
$136.00   $95.00
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100g
96%
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$508.00   $356.00
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA003IL9
Chemical Name:
3,5-Dimethoxyphenol
CAS Number:
500-99-2
Molecular Formula:
C8H10O3
Molecular Weight:
154.1632
MDL Number:
MFCD00008388
IUPAC Name:
3,5-dimethoxyphenol
InChI:
InChI=1S/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H3
InChI Key:
XQDNFAMOIPNVES-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1)O
EC Number:
207-917-7
UNII:
23UXW8136A
NSC Number:
70955
Properties
Computed Properties
 
Complexity:
104  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.063g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
154.165g/mol
Monoisotopic Mass:
154.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
1,3-dimethoxy-5-hydroxybenzene 
3,5-dimethoxyphenol 
3,5-dimethoxy phenol 
MFCD00008388 
UNII-23UXW8136A 
CHEBI:88715 
XQDNFAMOIPNVES-UHFFFAOYSA-N 
23UXW8136A 
3,5-Dimethoxyphenol, 97% 
EINECS 207-917-7 
NSC 70955 
Phenol,5-dimethoxy- 
phloroglucindimethylether 
3,5-dimethoxy-phenol 
PubChem16421 
ACMC-209kk2 
AC1L1V2W 
3,5-Dimethoxyphenol, 99% 
KSC271Q2R 
SCHEMBL233829 
AC1Q499K 
AC1Q56J5 
CHEMBL462989 
phloroglucinol dimethyl ether 
DTXSID7075426 
CTK1H1828 
KS-00000WYQ 
HMS1715K12 
ZINC388212 
EBD42971 
NSC70955 
STR06179 
ANW-30912 
BBL101113 
3,5-Dimethoxyphenol 
NSC-70955 
SBB071724 
STL554909 
AKOS000121581 
AM83169 
CS-W001117 
MCULE-5641512841 
TRA0061988 
VZ25819 
Phenol, 3,5-dimethoxy- (8CI)(9CI) 
500-99-2 
AC-11324 
AJ-20491 
AK-35339 
AN-45361 
CJ-03152 
SC-18581 
ZB011361 
AB0010491 
DB-022082 
ST2417301 
Phenol, 3,5-dimethoxy- 
TX-013032 
FT-0614645 
P0320 
ST45026898 
K-9284 
88195-EP2298750A1 
88195-EP2305648A1 
W-105986 
Z56347218 
F0001-1304 
Taxicatigenin 
InChI=1/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H 
Dimethoxy-3,5-phenol 
C8H10O3 
CID10383 
AR-1E9716 
C8-H10-O3 
ACN-050461 
3,5-Dimethoxyphenol, 98% - 10G 10g 
1784-05-0 
51952-65-9 
Phloroglucinol dimethyl ether 
1-Hydroxy-3,5-dimethoxybenzene 
Literature

Title: Fatal poisoning with Taxus baccata: quantification of paclitaxel (taxol A), 10-deacetyltaxol, baccatin III, 10-deacetylbaccatin III, cephalomannine (taxol B), and 3,5-dimethoxyphenol in body fluids by liquid chromatography-tandem mass spectrometry.

Journal: Journal of analytical toxicology 20120101

Title: Microbial detoxification of bifenthrin by a novel yeast and its potential for contaminated soils treatment.

Journal: PloS one 20120101

Title: On the way to understand antioxidants: chromanol and dimethoxyphenols gas-phase acidities.

Journal: Journal of mass spectrometry : JMS 20110701

Title: Importance of phenols structure on their activity as antinitrosating agents: A kinetic study.

Journal: Journal of pharmacy & bioallied sciences 20110101

Title: In situ lignocellulosic unlocking mechanism for carbohydrate hydrolysis in termites: crucial lignin modification.

Journal: Biotechnology for biofuels 20110101

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: [3,5-dimethoxyfenol--marker intoxication with Taxus baccata].

Journal: Soudni lekarstvi 20100701

Title: Extracorporeal life support in a severe Taxus baccata poisoning.

Journal: Clinical toxicology (Philadelphia, Pa.) 20100601

Title: Preliminary gas chromatography with mass spectrometry determination of 3,5-dimethoxyphenol in biological specimens as evidence of taxus poisoning.

Journal: Journal of analytical toxicology 20100101

Title: Ethyl 2-(4-chloro-phen-yl)-3-(3,5-dimethoxy-phen-oxy)acrylate.

Journal: Acta crystallographica. Section E, Structure reports online 20081201

Title: Modern analytical procedures for the determination of taxus alkaloids in biological material.

Journal: International journal of legal medicine 20080701

Title: Chemical libraries via sequential C-H functionalization of phenols.

Journal: Journal of combinatorial chemistry 20080101

Title: A comparative study of five fatal cases of Taxus poisoning.

Journal: International journal of legal medicine 20070901

Title: Synthesis and cosmetic whitening effect of glycosides derived from several phenylpropanoids.

Journal: Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20060301

Title: Total synthesis of garsubellin A.

Journal: Journal of the American Chemical Society 20060201

Title: Unusual pseudosubstrate specificity of a novel 3,5-dimethoxyphenol O-methyltransferase cloned from Ruta graveolens L.

Journal: Archives of biochemistry and biophysics 20050801

Title: [Suicidal yew poisoning--from Caesar to today--or suicide instructions on the internet].

Journal: Archiv fur Kriminologie 20030101

Title: Biosynthesis of the major scent components 3,5-dimethoxytoluene and 1,3,5-trimethoxybenzene by novel rose O-methyltransferases.

Journal: FEBS letters 20020717

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