acetoisovanillone
2-methoxy-5-acetylphenol
 
Notes:
from cynanchum paniculatum.
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      6100-74-9 Diosmin EP Impurity A >98%
      Isoacetovanillone one of impurities of Diosmin, is a volatile compound isolated from oak wood and is alsp a byproduct in the production of Acetovanillone.
       
       
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CAS Number: 6100-74-9Picture of molecule3D/inchi
FDA UNII: 286G943O33
Nikkaji Web: J13.303E
MDL: MFCD00182975
XlogP3: 1.20 (est)
Molecular Weight: 166.17630000
Formula: C9 H10 O3
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 329.92 °C. @ 760.00 mm Hg (est)
Flash Point: 276.00 °F. TCC ( 135.70 °C. ) (est)
logP (o/w): 1.373 (est)
Soluble in:
 water, 8653 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
Diosmin EP Impurity A >98%
Odor: characteristic
Use: Isoacetovanillone one of impurities of Diosmin, is a volatile compound isolated from oak wood and is alsp a byproduct in the production of Acetovanillone.
ExtraSynthese
For experimental / research use only.
Acetoisovanillone (HPLC) ≥99%
Matrix Scientific
For experimental / research use only.
3'-Hydroxy-4'-methoxyacetophenone, 95+%
Santa Cruz Biotechnology
For experimental / research use only.
3'-Hydroxy-4'-methoxyacetophenone
Sigma-Aldrich: Aldrich
For experimental / research use only.
3'-Hydroxy-4'-methoxyacetophenone 97%
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Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: natural substances and extractives
Recommendation for acetoisovanillone usage levels up to:
 not for fragrance use.
 
Recommendation for acetoisovanillone flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 95693
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 1-(3-hydroxy-4-methoxyphenyl)ethanone
Chemidplus: 0006100749
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References:
 1-(3-hydroxy-4-methoxyphenyl)ethanone
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 95693
Pubchem (sid): 135054575
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
CHEBI: View
HMDB (The Human Metabolome Database): Search
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 cynanchum paniculatum
Search Trop  Picture
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Synonyms:
isoacetovanillone
1-acetyl-3-hydroxy-4-methoxybenzene
 benzaldehyde, 2-hydroxy-5-methoxy- (9CI)
 ethanone, 1-(3-hydroxy-4-methoxyphenyl)-
3-hydroxy-4-methoxyacetophenone
1-(3-hydroxy-4-methoxyphenyl)ethanone
3'-hydroxy-4'-methoxyacetophenone
4-methoxy-3-hydroxyacetophenone
4'-methoxy-3'-hydroxyacetophenone
2-methoxy-5-acetylphenol
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Articles:
PubMed: Nontargeted GC-MS approach for volatile profile of toasting in cherry, chestnut, false acacia, and ash wood.
PubMed: Metabolism of aromatic plant ketones in rats: acetovanillone and paeonol.
PubMed: Two new acetoisovanillone glycosides from the water-soluble fraction of Paeonia ostii
PubMed: Anti-inflammatory effect of Pycnocycla spinosa extract and its component isoacetovanillone on acetic acid induced colitis in rats
PubMed: Bioassay-directed isolation of falcarindiol and isoacetovanillon from Pycnocycla caespitosa based on KCl-induced contraction in rat uterus smooth muscles
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