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

isovanillic acid
benzoic acid, 3-hydroxy-4-methoxy-

Supplier Sponsors

CAS Number: 645-08-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:211-430-5
FDA UNII: A8D1DUX2PR
Nikkaji Web:J7.068H
Beilstein Number:2208365
MDL:MFCD00002507
XlogP3:1.40 (est)
Molecular Weight:168.14856000
Formula:C8 H8 O4
BioActivity Summary:listing
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
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
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 344.30 °C. @ 760.00 mm Hg (est)
Flash Point: 293.00 °F. TCC ( 145.20 °C. ) (est)
logP (o/w): 1.350 (est)
Soluble in:
 water, 5708 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Alfa Biotechnology
For experimental / research use only.
Isovanillic Acid 98%
BOC Sciences
For experimental / research use only.
Diosmin Impurity 1 > 95%
Odor: characteristic
Use: Diosmin Impurity, used in the synthesis of opiate alkaloid precursor, dihydrothebainone.
Coompo
For experimental / research use only.
isoVanillic Acid from Plants ≥98%
Matrix Scientific
For experimental / research use only.
3-Hydroxy-4-methoxybenzoic acid
sds
Santa Cruz Biotechnology
For experimental / research use only.
isoVanillic Acid
Sigma-Aldrich: Aldrich
For experimental / research use only.
isoVanillic Acid 97%
sds
TCI AMERICA
For experimental / research use only.
isoVanillic Acid >98.0%(T)
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:
intraperitoneal-rat LD50 2974 mg/kg
Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 243, Pg. 609, 1956.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for isovanillic acid usage levels up to:
 not for fragrance use.
 
Recommendation for isovanillic acid 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 :12575
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3-hydroxy-4-methoxybenzoic acid
Chemidplus:0000645089
RTECS:BZ4850000 for cas# 645-08-9
 
References:
 3-hydroxy-4-methoxybenzoic acid
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):12575
Pubchem (sid):134976779
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB60003
Export Tariff Code:2918.99.4700
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
p-anisic acid, 3-hydroxy-
 benzoic acid, 3-hydroxy-4-methoxy-
3-hydroxy-4-methoxy benzoic acid
3-hydroxy-4-methoxybenzoic acid
3-hydroxy-4-methoxybenzoicacid
3-hydroxy-p-anisic acid
3-hydroxyanisic acid
 

Articles:

PubMed:Studies on the Biotransformation of Veratric Acid, a Human Metabolite of Mebeverine, by Using the Incubated Hen's Egg.
PubMed:[Chemical constituents from the roots of Ilex pubescens].
PubMed:Antifungal activity of compounds extracted from Cortex Pseudolaricis against Colletotrichum gloeosporioides.
PubMed:Molecular markers of biomass burning in arctic aerosols.
PubMed:[Study on chemical composition of ethylacetate fraction from Polygonum amplexicaule var. sinense].
PubMed:[Chemical constituents of Psammosilene tunicoides and bacteriostatic activity].
PubMed:[Non-anthraquinones constituents from the roots of Knoxia valerianoides].
PubMed:In vitro and in vivo metabolism of verproside in rats.
PubMed:[Chemical constituents from Gueldenstaedtia stenophylla].
PubMed:[Study on the chemical constituents of Phryma leptostachya].
PubMed:Chemical constituents of Cichorium intybus and their inhibitory effects against urease and alpha-chymotrypsin enzymes.
PubMed:Structure elucidation of two new unusual monoterpene glycosides from Euphorbia decipiens, by 1D and 2D NMR experiments.
PubMed:Amides from the stem of Capsicum annuum.
PubMed:[Studies on the chemical constituents from the antithrombus activity extract of Radix Aerio Fici Microcarpae].
PubMed:Photoenhanced degradation of veratraldehyde upon the heterogeneous ozone reactions.
PubMed:[Chemical constituents from Aeschynanthus longicaullis].
PubMed:[Isolation and identification of chemical constituents from peels of Citrus changshan-huyou Y.B. Chang].
PubMed:Simultaneous analysis of catechol-O-methyl transferase activity, S-adenosylhomocysteine and adenosine.
PubMed:Limazepines A-F, pyrrolo[1,4]benzodiazepine Antibiotics from an Indonesian Micrococcus sp.
PubMed:[Chemical constituents in the leave of Rhizophora stylosa L and their biological activities].
PubMed:Antimicrobial activity of the methanolic extracts and compounds from Treculia obovoidea (Moraceae).
PubMed:Reactivity of hydroxybenzoic acids in the hydrogen-isotope exchange reaction.
PubMed:[Studies on chemical constituents in roots of Rumex dentatus].
PubMed:Isolation and characterization of Streptomyces sp. NL15-2K capable of degrading lignin-related aromatic compounds.
PubMed:Metabolism of isovanillate, vanillate, and veratrate by Comamonas testosteroni strain BR6020.
PubMed:Determination of active ingredients of Ilex Purpurea Hassk and its medicinal preparations by capillary electrophoresis with electrochemical detection.
PubMed:Determination of hydrogen peroxide scavenging activity of cinnamic and benzoic acids employing a highly sensitive peroxyoxalate chemiluminescence-based assay: structure-activity relationships.
PubMed:Enzymatic oxidation of vanillin, isovanillin and protocatechuic aldehyde with freshly prepared Guinea pig liver slices.
PubMed:Metabolism of isovanillin by aldehyde oxidase, xanthine oxidase, aldehyde dehydrogenase and liver slices.
PubMed:(R,S)-Reticuline 7-O-methyltransferase and (R,S)-norcoclaurine 6-O-methyltransferase of Papaver somniferum - cDNA cloning and characterization of methyl transfer enzymes of alkaloid biosynthesis in opium poppy.
PubMed:Tyrosinase inhibitor from black rice bran.
PubMed:First total synthesis of the neuronal cell protecting carbazole alkaloid carbazomadurin A by sequential transition metal-catalyzed reactions.
PubMed:[Studies on chemical constituents of Stelmatocrypton khasianum (Benth.) H. Bail].
PubMed:New antimicrobial mono- and sesquiterpenes from Soroseris hookeriana subsp. erysimoides.
PubMed:On the metabolism of the amphetamine-derived antispasmodic drug mebeverine: gas chromatography-mass spectrometry studies on rat liver microsomes and on human urine.
PubMed:Identification of a phenolic 3-O-methyltransferase in the lignin-degrading fungus Phanerochaete chrysosporium.
PubMed:Comparison of the Efficacies of Chloromethane, Methionine, and S-Adenosylmethionine as Methyl Precursors in the Biosynthesis of Veratryl Alcohol and Related Compounds in Phanerochaete chrysosporium.
PubMed:Antibacterial activity of the phenolic acids fractions of Scrophularia frutescens and Scrophularia sambucifolia.
PubMed:Application of a Sex Pheromone, Pheromone Analogs, and Verticillium lecanii for Management of Heterodera glycines.
PubMed:Validation of assay of catechol-O-methyltransferase activity in human erythrocytes.
PubMed:Improved assay of reaction products to quantitate catechol-O-methyltransferase activity by high-performance liquid chromatography with electrochemical detection.
PubMed:O-demethylation by the homoacetogenic anaerobe Holophaga foetida studied by a new photometric methylation assay using electrochemically produced cob(I)alamin.
PubMed:The metabolism of mebeverine in man: identification of urinary metabolites by gas chromatography/mass spectrometry.
PubMed:New aspects of co-regulation of decarboxylation and demethylation activities in Nocardia.
PubMed:Host plant utilization and iridoid glycoside sequestration byEuphydryas anicia (Lepidoptera: Nymphalidae).
PubMed:Substrate-induction of veratric acid O-demethylase in Nocardia sp.
PubMed:Aerobic and Anaerobic Catabolism of Vanillic Acid and Some Other Methoxy-Aromatic Compounds by Pseudomonas sp. Strain PN-1.
PubMed:Identification of phenolic acids in human urine by ion monitoring.
PubMed:Regional distribution of methionine adenosyltransferase in rat brain as measured by a rapid radiochemical method.
PubMed:Studies in vitro on the involvement of O-sulphate esters in the formation of O-methylated 3,4-dihydroxybenzoic acid by rat liver.
PubMed:[Fluorimetric assay of 3-o-methyldopamine and 4-0-methyldopamine in rat urine and o-methylation of dopamine].
PubMed:[O-Methylation of epinephrine, 3,4-dihydroxybenzoic acid and 6,7-dihydroxycoumarin in yeasts (author's transl)].
PubMed:The metabolism of vanillin and isovanillin in the rat.
PubMed:The estimation of 3,4-dihydroxyphenylacetic acid, homovanillic acid and homo-isovanillic acid in nervous tissue by gas-liquid chromatography and electron capture detection.
PubMed:Degradation of methoxylated benzoic acids by a Nocardia from a lignin-rich environment: significance to lignin degradation and effect of chloro substituents.
PubMed:[4-O-Methylated catecholamines: 3-hydroxy, 4-methoxyphenylacetic acid (homo-isovanillic acid, iso-HVA) in biological media: urine, cerebrospinal fluid, and brain tissue].
PubMed:The metabolites of isovanillic acid in man, with special reference to the formation of 3,4-dimethoxybenzoic acid.
 
Notes:
None found
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