5-formyl vanillin
4-hydroxy-5-methoxyisophthalaldehyde
 
Notes:
None found
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CAS Number: 2931-90-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 220-901-4
FDA UNII: F38S6MCP4F
Nikkaji Web: J13.773A
Beilstein Number: 1955742
MDL: MFCD00513563
XlogP3: 0.80 (est)
Molecular Weight: 180.15956000
Formula: C9 H8 O4
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 308.15 °C. @ 760.00 mm Hg (est)
Flash Point: 257.00 °F. TCC ( 124.80 °C. ) (est)
logP (o/w): 1.775 (est)
Soluble in:
 water, 2613 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
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:
intravenous-dog LDLo  370 mg/kg
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE
Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 236, Pg. 2549, 1953.

intraperitoneal-mouse LD50  150 mg/kg
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Annales Pharmaceutiques Francaises. Vol. 12, Pg. 42, 1954.

oral-mouse LD50  2960 mg/kg
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 198, Pg. 194, 1972.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: information only not used for fragrances or flavors
Recommendation for 5-formyl vanillin usage levels up to:
 not for fragrance use.
 
Recommendation for 5-formyl vanillin flavor usage levels up to:
 not for flavor use.
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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 : 18035
National Institute of Allergy and Infectious Diseases: Data
 4-hydroxy-5-methoxybenzene-1,3-dicarbaldehyde
Chemidplus: 0002931900
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References:
 4-hydroxy-5-methoxybenzene-1,3-dicarbaldehyde
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 18035
Pubchem (sid): 134982118
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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
HMDB (The Human Metabolome Database): Search
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
1,3-benzenedicarboxaldehyde, 4-hydroxy-5-methoxy- (9CI)
5-formylvanillin
4-hydroxy-5-methoxy-1,3-benzene dicarboxaldehyde
4-hydroxy-5-methoxybenzene-1,3-dicarbaldehyde
4-hydroxy-5-methoxyisophthalaldehyde
4-hydroxy-5-methoxyisophthalic dialdehyde
isophthaldehyde, 4-hydroxy-5-methoxy-
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Articles:
PubMed: Metal-based biologically active agents: Synthesis, characterization, antibacterial and antileukemia activity evaluation of Cu(II), V(IV) and Ni(II) complexes with antipyrine-derived compounds.
PubMed: Atomic models for the polypeptide backbones of myohemerythrin and hemerythrin.
PubMed: [Effects of 4-hydroxy-5-methoxyisophthalaldehyde and 5-hydroxy-4-hydroxy-isophthalaldehyde on isolated ventricle of Helix aspersa].
PubMed: [Comparative toxicity of vanillin and of 4-hydroxy-5-methoxyisophthalaldehyde].
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