thujaplicatin methyl ether
(3S-trans)-dihydro-3-((4-hydroxy-3,5-dimethoxyphenyl)methyl)-4-((4-hydroxy-3-methoxyphenyl)methyl)-2(3H)-furanone
 
Notes:
None found
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CAS Number: 6512-67-0Picture of molecule3D/inchi
FDA UNII: 2VJD5SJF7V
Nikkaji Web: J1.790.162A
XlogP3-AA: 3.20 (est)
Molecular Weight: 388.41668000
Formula: C21 H24 O7
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Soluble in:
 water, 46.88 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:
 None found
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Safety Information:
 
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 thujaplicatin methyl ether usage levels up to:
 not for fragrance use.
 
Recommendation for thujaplicatin methyl ether flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 192827
National Institute of Allergy and Infectious Diseases: Data
 (3S,4S)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
Chemidplus: 0006512670
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References:
 (3S,4S)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 192827
Pubchem (cas): 6512-67-0
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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
CHEMBL: View
HMDB (The Human Metabolome Database): Search
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
EFSA Update of results on the monitoring of furan levels in food: Read Report
EFSA Previous report: Results on the monitoring of furan levels in food: Read Report
EFSA Report of the CONTAM Panel on provisional findings on furan in food: Read Report
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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
 thuja plicata wood
Search Trop  Picture
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Synonyms:
(3S-trans)-dihydro-3-((4-hydroxy-3,5-dimethoxyphenyl)methyl)-4-((4-hydroxy-3-methoxyphenyl)methyl)-2(3H)-furanone
2(3H)-furanone, dihydro-3-((4-hydroxy-3,5-dimethoxyphenyl)methyl)-4-((4-hydroxy-3-methoxyphenyl)methyl)-, (3S-trans)-
(3S,4S)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
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Articles:
PubMed: Cytotoxic activity of Ipomoea cairica.
PubMed: Analysis of western redcedar (Thuja plicata Donn) heartwood components by HPLC as a possible screening tool for trees with enhanced natural durability.
PubMed: [The chemical proof of the absolute configurations of di-o-methylhydroxy-thujaplicatin methyl ether, pluviatolide and 2-(3'',4''-dimethoxybenzyl)-3(3', 4'-methylenedioxybenzyl) butyrolactone (author's transl)].
PubMed: [The absolute configurations of thujaplicatin methyl ether and 2-(3,4,5-trimethoxybenzyl)-3-(3,4-methylenedioxybenzyl)butyrolactone (author's transl)].
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