homovanillin
benzeneacetaldehyde, 4-hydroxy-3-methoxy-
 
Notes:
3 -Methoxy-4-hydroxyphenylacetaldehyde is an intermediary aldehyde of dopamine metabolism, metabolized by the class I human liver alcohol dehydrogenases (ADHs) . ADH catalyzes both ethanol and acetaldehyde, and the dopamine intermediates compete for the same site of ADH, a basis for the ethanol-induced in vivo alterations of dopamine metabolism. (PMID 2432930) [HMDB]
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CAS Number: 5703-24-2Picture of molecule3D/inchi
Nikkaji Web: J13.618B
Beilstein Number: 1950767
XlogP3: 0.30 (est)
Molecular Weight: 166.17630000
Formula: C9 H10 O3
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
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Physical Properties:
Appearance: white crystals (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Melting Point: 50.50 °C. @ 760.00 mm Hg
Boiling Point: 111.00 to  114.00 °C. @ 0.45 mm Hg
Boiling Point: 310.00 to  311.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.000328 mmHg @ 25.00 °C. (est)
Flash Point: 260.00 °F. TCC ( 126.40 °C. ) (est)
logP (o/w): 0.999 (est)
Soluble in:
 alcohol
 water, 1.121e+004 mg/L @ 25 °C (est)
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Organoleptic Properties:
Odor Strength: medium
 
Odor Description:
at 100.00 %. 
floral vanilla
 
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 homovanillin usage levels up to:
 not for fragrance use.
 
Recommendation for homovanillin flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 151276
National Institute of Allergy and Infectious Diseases: Data
 2-(4-hydroxy-3-methoxyphenyl)acetaldehyde
Chemidplus: 0005703242
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References:
 2-(4-hydroxy-3-methoxyphenyl)acetaldehyde
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 151276
Pubchem (sid): 135108560
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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
CHEBI: View
KEGG (GenomeNet): C05581
HMDB (The Human Metabolome Database): HMDB05175
FooDB: FDB023632
Export Tariff Code: 2912.49.0000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
 amberFR
 balsamFR
 orientalFR
 vanillaFR
 woodyFR
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Occurrence (nature, food, other): note
 found in nature
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Synonyms:
 benzeneacetaldehyde, 4-hydroxy-3-methoxy-
 ethanal, 2-(4-hydroxy-3-methoxyphenyl)
4-hydroxy-3-methoxy-benzeneacetaldehyde
4-hydroxy-3-methoxybenzeneacetaldehyde
4-hydroxy-3-methoxyphenyl acetaldehyde
(4-hydroxy-3-methoxyphenyl) acetaldehyde
2-(4-hydroxy-3-methoxyphenyl) ethanal
(4-hydroxy-3-methoxyphenyl)acetaldehyde
2-(4-hydroxy-3-methoxyphenyl)acetaldehyde
3-methoxy-4-hydroxyphenylacetaldehyde
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