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

p-anisaldehyde, 3-hydroxy-

Supplier Sponsors

CAS Number: 621-59-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:210-694-9
Nikkaji Web:J57.879G
Beilstein Number:1073021
XlogP3:1.00 (est)
Molecular Weight:152.14936000
Formula:C8 H8 O3
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
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 114.00 °C. @ 760.00 mm Hg
Boiling Point: 308.00 to 309.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.000384 mmHg @ 25.00 °C. (est)
Flash Point: 248.00 °F. TCC ( 119.90 °C. ) (est)
logP (o/w): 0.970
Soluble in:
 water, 1.102e+004 mg/L @ 25 °C (est)
Insoluble in:
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
Alfa Biotechnology
For experimental / research use only.
Isovanillin 98%
Beijing Lys Chemicals
BOC Sciences
For experimental / research use only.
Isovanillin >98%
Odor: characteristic
Use: It is a selective inhibitor of aldehyde oxidase. It is not a substrate of that enzyme, and is metabolized by aldehyde dehydrogenase into isovanillic acid.
For experimental / research use only.
isoVanillin from Plants ≥98%
Odor: characteristic
Use: It is a selective inhibitor of aldehyde oxidase. It is not a substrate of that enzyme, and is metabolized by aldehyde dehydrogenase into isovanillic acid.
For experimental / research use only.
isoVanillin (HPLC) ≥95%
Frinton Laboratories
For experimental / research use only.
Glentham Life Sciences
Jinan Enlighten Chemical Technology(Wutong Aroma )
isoVanillin, Kosherk
M&U International
Penta International
Sigma-Aldrich: Aldrich
For experimental / research use only.
isoVanillin ≥95.0%
Sunaux International
For experimental / research use only.
isoVanillin >98.0%(T)
Tianjin Danjun International
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
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
intraperitoneal-rat LD50 1276 mg/kg
Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 243, Pg. 609, 1956.

intravenous-dog LDLo 1470 mg/kg
Annales Pharmaceutiques Francaises. Vol. 14, Pg. 456, 1956.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
Safety in Use Information:
natural substances and extractives
Recommendation for isovanillin usage levels up to:
 not for fragrance use.
Recommendation for isovanillin flavor usage levels up to:
 not for flavor use.
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):621-59-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12127
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
RTECS:CU6540000 for cas# 621-59-0
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:621-59-0
Pubchem (cid):12127
Pubchem (sid):134976395
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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2912.49.2600
VCF-Online:VCF Volatile Compounds in Food
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 rue wild rue
Search Trop Picture
p-anisaldehyde, 3-hydroxy-
5-formyl guaiacol


Google Patents:Process for the preparation of isovanillin
PubMed:[New facts about the molecular background of isovanilline-type sweeteners].
PubMed:Phenolic composition of vinegars over an accelerated aging process using different wood species (acacia, cherry, chestnut, and oak): effect of wood toasting.
PubMed:Isovanillin derived N-(un)substituted hydroxylamines possessing an ortho-allylic group: valuable precursors to bioactive N-heterocycles.
PubMed:Solubilization in mixed micelles studied by molecular dynamics simulations and COSMOmic.
PubMed:Three new ursane-type triterpenoids from the stems of Saprosma merrillii.
PubMed:Molecular dynamics simulation of SDS and CTAB micellization and prediction of partition equilibria with COSMOmic.
PubMed:[Phenolic compounds from Jatropha curcas].
PubMed:Synthesis and biological evaluation of combretastatin A-4 and three combretastatin-based hybrids.
PubMed:Pd(II)-mediated cyclization of o-allylbenzaldehydes in water: a novel synthesis of isocoumarins.
PubMed:[Antioxidant constituents from Smilax riparia].
PubMed:Vanillin and isovanillin: comparative vibrational spectroscopic studies, conformational stability and NLO properties by density functional theory calculations.
PubMed:[Study on the chemical constituents from Fructus Toosendan (III)].
PubMed:Approaches to Iodinated Derivatives of Vanillin and Isovanillin.
PubMed:Antioxidant phenolic compounds of cassava (Manihot esculenta) from Hainan.
PubMed:4',5'-Dichloro-2',7'-dimethoxy-5(6)-carboxyfluorescein (JOE): synthesis and spectral properties of oligonucleotide conjugates.
PubMed:Novel 5, 6-Dihydropyrrolo[2,1-a]isoquinolines as Scaffolds for Synthesis of Lamellarin Analogues.
PubMed:Case report of extensive metabolism by aldehyde oxidase in humans: pharmacokinetics and metabolite profile of FK3453 in rats, dogs, and humans.
PubMed:Active components from Siberian ginseng (Eleutherococcus senticosus) for protection of amyloid β(25-35)-induced neuritic atrophy in cultured rat cortical neurons.
PubMed:Vanilloid derivatives as tyrosinase inhibitors driven by virtual screening-based QSAR models.
PubMed:[Chemical constituents of rhizomes of Zingiber officinale].
PubMed:Transport and metabolism of the antitumour drug candidate 2'-benzoyloxycinnamaldehyde in Caco-2 cells.
PubMed:[Chemical constituents from herb of Solanum lyratum].
PubMed:[Studies on chemical constituents in fruit of Alpinia oxyphylla].
PubMed:[Studies on chemical constituents of roots of Linum usitatissimum].
PubMed:[Analysis of chemical constituents of the volatile oil from flowers of Oyster Rhoeo by GC/MS].
PubMed:Allelochemicals and activities in a replanted Chinese fir (Cunninghamia lanceolata (Lamb.) Hook) tree ecosystem.
PubMed:Naphthylphenstatins as tubulin ligands: synthesis and biological evaluation.
PubMed:[Chemical constituents from root barks of Periploca sepium].
PubMed:Synthesis of santiagonamine.
PubMed:Stereocontrolled synthesis of (-)-galanthamine.
PubMed:Contribution of aldehyde oxidizing enzymes on the metabolism of 3,4-dimethoxy-2-phenylethylamine to 3,4-dimethoxyphenylacetic acid by guinea pig liver slices.
PubMed:Phenylacetaldehyde oxidation by freshly prepared and cryopreserved guinea pig liver slices: the role of aldehyde oxidase.
PubMed:Metabolism of homovanillamine to homovanillic acid in guinea pig liver slices.
PubMed:Biotransformation of benzaldehyde-type and acetophenone-type derivatives by Pharbitis nil hairy roots.
PubMed:Synthesis of the beta-hydroxydopa-gamma-hydroxy-delta-sulfinylnorvaline component of ustiloxins A and B.
PubMed:Enzymatic oxidation of vanillin, isovanillin and protocatechuic aldehyde with freshly prepared Guinea pig liver slices.
PubMed:Further naphthylcombretastatins. An investigation on the role of the naphthalene moiety.
PubMed:Metabolism of 2-phenylethylamine to phenylacetic acid, via the intermediate phenylacetaldehyde, by freshly prepared and cryopreserved guinea pig liver slices.
PubMed:Metabolism of isovanillin by aldehyde oxidase, xanthine oxidase, aldehyde dehydrogenase and liver slices.
PubMed:Enzymatic oxidation of phthalazine with guinea pig liver aldehyde oxidase and liver slices: inhibition by isovanillin.
PubMed:Contribution of aldehyde oxidase, xanthine oxidase, and aldehyde dehydrogenase on the oxidation of aromatic aldehydes.
PubMed:A benzenoid from the stem of Acanthopanax senticosus.
PubMed:Metabolism of 2-phenylethylamine and phenylacetaldehyde by precision-cut guinea pig fresh liver slices.
PubMed:Xanthine oxidase-catalyzed metabolism of 2-nitrofluorene, a carcinogenic air pollutant, in rat skin.
PubMed:Antioxidant and free-radical scavenging activity of constituents of the leaves of Tachigalia paniculata.
PubMed:[Studies on chemical constituents of Stelmatocrypton khasianum (Benth.) H. Bail].
PubMed:Antineoplastic agents 463. Synthesis of combretastatin A-3 diphosphate prodrugs.
PubMed:Pharmacokinetics of the novel, high-affinity and selective dopamine D3 receptor antagonist SB-277011 in rat, dog and monkey: in vitro/in vivo correlation and the role of aldehyde oxidase.
PubMed:Chemical constituents from Asparagus dumosus.
PubMed:Thalprzewalskiinone, a new oxobenzylisoquinoline alkaloid from thalictrum przewalskii
PubMed:Preclinical evaluation of 5-iodo-2-pyrimidinone-2'-deoxyribose as a prodrug for 5-iodo-2'-deoxyuridine-mediated radiosensitization in mouse and human tissues.
PubMed:New p-quinonoid aporphine alkaloids and antiplatelet aggregation constituents of Hernandia sonora.
PubMed:Role of aldehyde oxidase in the in vitro conversion of famciclovir to penciclovir in human liver.
PubMed:A chemical model of catechol-O-methyltransferase. Methylation of 3,4-dihydroxybenzaldehyde in aqueous solution.
PubMed:3,3',5'-Tri-O-methylpiceatannol and 4,3',5'-tri-O-methylpiceatannol: improvements over piceatannol in bioactivity.
PubMed:Synthesis and identification of the major metabolites of prazosin formed in dog and rat.
PubMed:The metabolism of vanillin and isovanillin in the rat.
PubMed:[Chromatographic separation and identification of 3-hydroxy,4-methoxymandelic (iso-VMa) and 4-hydroxy,3-methoxymandelic (VMA) acids in the form of their periodic oxidation derivatives: isovanillin and vanillin. Presence of 3-hydroxy,4-methoxymandelic acid in human urine].
PubMed:[Choleretic activity of isovanillin and ethylisovanillin in dogs].
PubMed:Azlactones and phenylacetic acids derived from the 2-nitro-derivatives of vanillin, isovanillin, and veratraldehyde.
inhibits aldehyde oxidase.
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2021 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy