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

benzaldehyde, 2,4,5-trimethoxy-

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CAS Number: 4460-86-0Picture of molecule3D/inchi
Other(deleted CASRN):14374-62-0
ECHA EINECS - REACH Pre-Reg:224-713-3
Nikkaji Web:J13.494E
Beilstein Number:1951403
XlogP3-AA:1.30 (est)
Molecular Weight:196.20244000
Formula:C10 H12 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
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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: 112.00 to 114.00 °C. @ 760.00 mm Hg
Boiling Point: 334.00 to 335.00 °C. @ 760.00 mm Hg (est)
Boiling Point: 140.00 °C. @ 4.00 mm Hg
Vapor Pressure:0.000125 mmHg @ 25.00 °C. (est)
Flash Point: 300.00 °F. TCC ( 149.00 °C. ) (est)
logP (o/w): 1.634 (est)
Soluble in:
 water, 2716 mg/L @ 25 °C (est)
Insoluble in:
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
BOC Sciences
For experimental / research use only.
Odor: characteristic
Use: A natural COX-2 inhibitor, exhibiting 17-fold selectivity over COX-1
Santa Cruz Biotechnology
For experimental / research use only.
Sigma-Aldrich: Aldrich
For experimental / research use only.
2,4,5-Trimethoxybenzaldehyde 98%
For experimental / research use only.
2,4,5-Trimethoxybenzaldehyde >98.0%(GC)
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:
oral-bird - wild LD50 422 mg/kg
Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
Safety in Use Information:
natural substances and extractives
Recommendation for 2,4,5-trimethoxybenzaldehyde usage levels up to:
 not for fragrance use.
Recommendation for 2,4,5-trimethoxybenzaldehyde flavor usage levels up to:
 not for flavor use.
Safety References:
EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):4460-86-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :20525
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
EPA/NOAA CAMEO:hazardous materials
RTECS:CU8460000 for cas# 4460-86-0
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:4460-86-0
Pubchem (cid):20525
Pubchem (sid):134985711
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):HMDB29648
Export Tariff Code:2912.49.2600
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
Search Trop Picture
 carrot seed
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 ginger wild ginger
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 hazelnut roots wild hungarian
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 orthodon dianthera maxim. oil vietnam @ 0.10%
Data GC Search Trop Picture
 asarone aldehyde
 azaryl aldehyde
 benzaldehyde, 2,4,5-trimethoxy-
2,4,5-trimethoxy benzaldehyde


PubMed:Activity of chalcones derived from 2,4,5-trimethoxybenzaldehyde against Meloidogyne exigua and in silico interaction of one chalcone with a putative caffeic acid 3-O-methyltransferase from Meloidogyne incognita.
PubMed:Enhancement of 4-acetylantroquinonol B production by supplementation of its precursor during submerged fermentation of Antrodia cinnamomea.
PubMed:The synthesis of the pyranonaphthoquinones dehydroherbarin and anhydrofusarubin using Wacker oxidation methodology as a key step and other unexpected oxidation reactions with ceric ammonium nitrate and salcomine.
PubMed:2,4,5-TMBA, a natural inhibitor of cyclooxygenase-2, suppresses adipogenesis and promotes lipolysis in 3T3-L1 adipocytes.
PubMed:Synthesis and antioxidant, cytotoxicity and antimicrobial activities of novel curcumin mimics.
PubMed:A concise synthesis of the naphthalene portion of purpuromycin.
PubMed:Production of a COX-2 inhibitor, 2,4,5-trimethoxybenzaldehyde, with submerged cultured Antrodia camphorata.
PubMed:Synthesis of microfolicoumarin, a constituent of Cedrelopsis microfoliata.
PubMed:Inhibition of cyclooxygenase (COX) enzymes by compounds from Daucus carota L. Seeds.
PubMed:Structural and sensory characterization of compounds contributing to the bitter off-taste of carrots (Daucus carota L.) and carrot puree.
PubMed:[Studies on the chemical constituents of Asarum longerhizomatosum C. F. Liang et C. S. Yang].
PubMed:[Separation of two isomers in the products of condensation reaction with trimethoxybenzaldehyde as raw material and quick determination of the concentration of its intermediates by high performance liquid chromatography].
PubMed:Pest-managing efficacy of trans-asarone isolated from Daucus carota L. seeds.
PubMed:Cloning and expression of two novel hemin binding protein genes from Treponema denticola.
PubMed:Phenylbutanoid dimers from the leaves of Alpinia flabellata.
PubMed:Effect of Daucus carota var. boissieri extracts on immune response of Schistosoma mansoni infected mice.
PubMed:IKP104-induced decay of tubulin: role of the A-ring binding site of colchicine.
PubMed:The effectiveness of Salmonella strains TA100, TA102 and TA104 for detecting mutagenicity of some aldehydes and peroxides.
PubMed:Isolation and characterization of a hemin-binding cell envelope protein from Porphyromonas gingivalis.
PubMed:Responses of the L5178Y tk+/tk- mouse lymphoma cell forward mutation assay: III. 72 coded chemicals.
PubMed:Acridone Alkaloids and Other Constituents of the Leaves of Atalantia ceylanica.
PubMed:The effects of colchicine analogues on the reaction of tubulin with iodo[14C]acetamide and N,N'-ethylenebis(iodoacetamide).
PubMed:Tissue-specific and substrate-specific detection of aldehyde and pyridoxal oxidase in larval and imaginal tissues of Drosophila melanogaster.
Constit. of bitter principle of carrot seeds (Daucus carota) and sweetflag (Acorus calamus)
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