EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

methyl isovanillate
benzoic acid, 3-hydroxy-4-methoxy-, methyl ester

Supplier Sponsors

Name:methyl 3-hydroxy-4-methoxybenzoate
CAS Number: 6702-50-7Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J504.777C
MDL:MFCD01321262
XlogP3:1.80 (est)
Molecular Weight:182.17550000
Formula:C9 H10 O4
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 327.70 °C. @ 760.00 mm Hg (est)
Flash Point: 271.00 °F. TCC ( 132.80 °C. ) (est)
logP (o/w): 1.750 (est)
Soluble in:
 water, 1495 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Methyl 3-hydroxy-4-methoxybenzoate 95%
Matrix Scientific
For experimental / research use only.
Methyl 3-hydroxy-4-methoxybenzenecarboxylate, >95%
sds
Santa Cruz Biotechnology
For experimental / research use only.
Methyl 3-hydroxy-4-methoxybenzoate
Sigma-Aldrich: Aldrich
For experimental / research use only.
Methyl 3-hydroxy-4-methoxybenzoate 98%
sds
TCI AMERICA
For experimental / research use only.
Methyl Isovanillate >98.0%(GC)
sds
 
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
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for methyl isovanillate usage levels up to:
 not for fragrance use.
 
Recommendation for methyl isovanillate flavor usage levels up to:
 not for flavor use.
 
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 :4056967
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
methyl 3-hydroxy-4-methoxybenzoate
 
References:
 methyl 3-hydroxy-4-methoxybenzoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):4056967
Pubchem (sid):126644644
 
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
Export Tariff Code:2912.49.9000
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 benzoic acid, 3-hydroxy-4-methoxy-, methyl ester
2-hydroxy-4-(methoxycarbonyl)anisole
3-hydroxy-4-methoxybenzoic acid methyl ester
3-hydroxy-4-methoxybenzoic acid, methyl ester
2-methoxy-5-(methoxycarbonyl)phenol
 methyl 3-hydroxy-4-methoxy-benzoate
 methyl 3-hydroxy-4-methoxybenzenecarboxylate
 methyl 3-hydroxy-4-methoxybenzoate
 

Articles:

PubMed:Expression and substrate range of Streptomyces vanillate demethylase.
PubMed:Withdrawn paper: Li, M.D.; Zheng, Y.G.; Ji, M. Synthesis of gefitinib from methyl 3-hydroxy-4-methoxybenzoate. Molecules 2007,12,673-678.
PubMed:Synthesis of gefitinib from methyl 3-hydroxy-4-methoxy-benzoate.
PubMed:Protective constituents against sepsis in mice from the root cortex of Paeonia suffruticosa.
PubMed:O-demethylation by the homoacetogenic anaerobe Holophaga foetida studied by a new photometric methylation assay using electrochemically produced cob(I)alamin.
 
Notes:
None found
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