3-pyridine carboxaldehyde
nicotinealdehyde

Sponsors

Name: pyridine-3-carbaldehyde
CAS Number: 500-22-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 207-900-4
FDA UNII: 840R4IDQ1T
Nikkaji Web: J28.015A
Beilstein Number: 0105343
MDL: MFCD00006382
XlogP3-AA: 0.30 (est)
Molecular Weight: 107.11205000
Formula: C6 H5 N O
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: antimicrobial agents
 
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 Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
 
Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity: 1.13500 25.00 °C.
Melting Point: 8.00 °C. @ 760.00 mm Hg
Boiling Point: 209.00 to 210.00 °C. @ 760.00 mm Hg (est)
Boiling Point: 95.00 to 97.00 °C. @ 15.00 mm Hg
Vapor Pressure: 0.200000 mm/Hg @ 25.00 °C. (est)
Flash Point: 140.00 °F. TCC ( 60.00 °C. )
logP (o/w): 0.290
Soluble in:
 water, 6.286e+004 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Flavor Type: bitter
 bitter astringent
Taste Description:
bitter astringent
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: antimicrobial agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
Pyridine-3-carbaldehyde
Santa Cruz Biotechnology
For experimental / research use only.
3-Pyridinecarboxaldehyde 98%
Sigma-Aldrich: Aldrich
For experimental / research use only.
3-Pyridinecarboxaldehyde 98%
TCI AMERICA
For experimental / research use only.
3-Pyridinecarboxaldehyde >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
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
intraperitoneal-mouse LD25 720 mg/kg
Journal of Pharmaceutical Sciences. Vol. 64, Pg. 528, 1975.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: antimicrobial agents
Recommendation for 3-pyridine carboxaldehyde usage levels up to:
 not for fragrance use.
 
Recommendation for 3-pyridine carboxaldehyde flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
Cancer Citations: Search
Toxicology Citations: Search
Env. Mutagen Info. Center: Search
NLM Developmental and Reproductive Toxicity: Search
EPA Substance Registry Services (TSCA): 500-22-1
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 10371
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 pyridine-3-carbaldehyde
Chemidplus: 0000500221
RTECS: QS2980000 for cas# 500-22-1
 
References:
 pyridine-3-carbaldehyde
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 500-22-1
Pubchem (cid): 10371
Pubchem (sid): 134977971
Pherobase: View
 
Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (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
KEGG (GenomeNet): C07327
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2933.39.9100
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other): note
 crataegus azarolus fruit
Search Trop Picture
 raspberry red raspberry
Search Trop Picture
 
Synonyms:
3-formyl pyridine
3-formylpyridine
 nicotinaldehyde
 nicotinealdehyde
 nicotinic aldehyde
3-pyridenecarboxaldehyde
3-pyridinaldehyde
3-pyridine aldehyde
 pyridine-3-aldehyde
 pyridine-3-carbaldehyde
 pyridine-3-carboxaldehyde
3-pyridinealdehyde
.beta.-pyridinecarbonaldehyde
beta-pyridinecarbonaldehyde
3-pyridinecarboxaldehyde
3-pyridylaldehyde
3-pyridylcarboxaldehyde
 

Articles:

US Patents: 3,952,024 - Furfurylthioacetone
PubMed: Cyclizations of phenylethyl-substituted pyridinecarboxaldehydes.
US Patents: Certain 2,5-dimethyl-3-thiopyrazines
PubMed: Synthesis and antimycobacterial activity of 2,1'-dihydropyridomycins.
PubMed: Tetra-kis(μ-acetato-κ(2)O:O')-bis-[(3-pyridine-carboxaldehyde-κN')]dicopper(II)(Cu-Cu).
PubMed: Application of porous nickel-coated TiO₂ for the photocatalytic degradation of aqueous quinoline in an internal airlift loop reactor.
PubMed: 2-Chloro- and 2-bromo-3-pyridinecarboxaldehydes: structures, rotamers, fermi resonance and vibration modes.
PubMed: Noncentrosymmetric organic solids with very strong harmonic generation response.
PubMed: Competitive Intramolecular/Intermolecular Chelation Options Operative during Indium-Promoted Additions to Pyridyl Aldehydes and to Glyoxylic Acid under Aqueous Conditions.
PubMed: Efficient enantiomeric synthesis of pyrrolidine and piperidine alkaloids from tobacco.
PubMed: Milameline (CI-979/RU35926): a muscarinic receptor agonist with cognition-activating properties: biochemical and in vivo characterization.
PubMed: Synthesis of a novel dual inhibitor of thromboxane A2 synthetase and 5-lipoxygenase (E3040) via the direct coupling reaction of hydroquinone with 3-pyridinecarboxaldehyde.
PubMed: Safety and tolerability of CI-979 in patients with Alzheimer's disease.
PubMed: Chemotherapeutic agents, XXI: Synthesis of Pi-deficient pyrimidines as leishmanicides.
PubMed: Purification and Properties of an NADPH-Aldose Reductase (Aldehyde Reductase) from Euonymus japonica Leaves.
PubMed: Partial Purification and Characterization of d-Ribose-5-phosphate Reductase from Adonis vernalis L. Leaves.
PubMed: Inhibition of xanthine oxidase by various aldehydes.
PubMed: Tissue distribution of mammalian aldose reductase and related enzymes.
 
Notes:
None found
 
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