3,5-lutidine
pyridine, 3,5-dimethyl-
 
Notes:
None found
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    • Penta International Corporation
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      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      Product(s):
      04-67650 3,5-DIMETHYLPYRIDINE
       
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    • TCI AMERICA
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      Product(s):
      L0068 3,5-Lutidine >98.0%(GC)
       
Synonyms   Articles   Notes   Search
3,5-dimethylpyridine (Click)
CAS Number: 591-22-0Picture of molecule
ECHA EINECS - REACH Pre-Reg: 209-708-6
FDA UNII: 6Q4YPZ045V
Nikkaji Web: J6.756C
Beilstein Number: 0105682
MDL: MFCD00006404
CoE Number: 11382
XlogP3: 1.80 (est)
Molecular Weight: 107.15573000
Formula: C7 H9 N
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
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
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
Flavis Number: 14.106 (Old)
DG SANTE Food Flavourings: 14.106  3,5-dimethylpyridine
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.93900 to 0.94500 @  25.00 °C.
Pounds per Gallon - (est).: 7.813 to  7.863
Refractive Index: 1.50000 to 1.50600 @  20.00 °C.
Melting Point: -9.00 °C. @ 760.00 mm Hg
Boiling Point: 170.00 to  172.00 °C. @ 760.00 mm Hg
Vapor Pressure: 1.924000 mm/Hg @ 25.00 °C. (est)
Flash Point: 128.00 °F. TCC ( 53.33 °C. )
logP (o/w): 1.780
Soluble in:
 alcohol
 water, 33000 mg/L @ 20 °C (exp)
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Organoleptic Properties:
 green  fatty  roasted  
Taste Description:
green fatty roasted
  
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Cosmetic Information:
None found
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Suppliers:
Aceto
3,5-Lutidine
Penta International
3,5-DIMETHYLPYRIDINE
Santa Cruz Biotechnology
For experimental / research use only.
3,5-Lutidine
Sigma-Aldrich: Aldrich
For experimental / research use only.
3,5-Lutidine ≥98%
TCI AMERICA
For experimental / research use only.
3,5-Lutidine >98.0%(GC)
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Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 10 - Flammable.
R 23/24/25 - Toxic by inhalation, in contact with skin and if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
R 41 - Risk of serious damage to eyes.
S 01/02 - Keep locked up and out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 20/21 - When using do not eat, drink or smoke.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
 
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: flavoring agents
Recommendation for 3,5-lutidine usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.073 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 400 (μg/person/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.400002.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.100000.50000
Edible ices, including sherbet and sorbet (03.0): 0.400002.00000
Processed fruit (04.1): 0.400002.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 1.000005.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.200001.00000
Bakery wares (07.0): 2.0000010.00000
Meat and meat products, including poultry and game (08.0): 0.200001.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.200001.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.100000.50000
Foodstuffs intended for particular nutritional uses (13.0): 0.200001.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.200001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): --
Ready-to-eat savouries (15.0): 1.000005.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.200001.00000
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Safety References:
European Food Safety Athority(efsa): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 24 (FGE.24): Pyridine, pyrrole, indole and quinoline derivatives from chemical group 28 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf
Pyridine, pyrrole, indole and quinoline derivatives from chemical group 28 Flavouring Group Evaluation 24, Revision 1 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf
Flavouring Group Evaluation 77 (FGE77) [1] - Consideration of Pyridine, Pyrrole and Quinoline Derivatives evaluated by JECFA (63rd meeting) structurally related to Pyridine, Pyrrole, Indole and Quinoline Derivatives evaluated by EFSA in FGE.24Rev1 (2008)
View page or View pdf
Scientific opinion on Flavouring Group Evaluation 24, Revision 2 (FGE.24Rev2): Pyridine, pyrrole, indole and quinoline derivatives from chemical group 28
View page or View pdf
EPI System: View
Env. Mutagen Info. Center: Search
EPA Substance Registry Services (TSCA): 591-22-0
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 11565
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 1993
WGK Germany: 3
 3,5-dimethylpyridine
Chemidplus: 0000591220
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References:
 3,5-dimethylpyridine
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 11565
Pubchem (sid): 134977262
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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
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2933.39.1000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
aldehydic
2-tridecenalFL/FR
brown
sec-heptyl acetateFL/FR
fatty
 decanolFL/FR
2-nonen-1-olFL/FR
2-nonenalFL/FR
floral
(E)-geranyl acetoneFL/FR
 geranyl phenyl acetateFL/FR
fruity
isoamyl isobutyrateFL/FR
2-hexen-1-olFL/FR
para-dimethyl hydroquinoneFL/FR
1-heptanolFL/FR
 heptyl acetateFL/FR
(E)-2-nonen-1-olFL/FR
(Z)-2-nonen-1-olFL/FR
(E)-2-octen-1-yl acetateFL/FR
 olive oil absoluteFL/FR
melon
(Z)-6-nonen-1-yl acetateFL/FR
 
For Flavor
 
aldehydic
2-tridecenalFL/FR
anise
para-dimethyl hydroquinoneFL/FR
fatty
(E,E)-2,4-heptadienalFL
sec-heptyl acetateFL/FR
(Z)-2-nonen-1-olFL/FR
2-nonen-1-olFL/FR
2-nonenalFL/FR
floral
(E)-geranyl acetoneFL/FR
 geranyl phenyl acetateFL/FR
fruity
isoamyl isobutyrateFL/FR
2-hexen-1-olFL/FR
green
 cucumber distillatesFL
 heptyl acetateFL/FR
(E)-2-nonen-1-olFL/FR
(Z)-6-nonen-1-yl acetateFL/FR
(E)-2-octen-1-yl acetateFL/FR
oily
 olive oil absoluteFL/FR
solvent
1-heptanolFL/FR
waxy
 decanolFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 tea - up to 0.15 mg/kg
Search Trop  Picture
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Synonyms:
3,5-dimethyl pyridine
3,5-dimethylpyridine
 pyridine, 3,5-dimethyl-
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Articles:
US Patents: 3,931,166 - Certain 2,5-dimethyl-3-thiopyrazines
PubMed: PET imaging shows loss of striatal PDE10A in patients with Huntington disease.
US Patents: Flavoring agent
PubMed: Utilizing proton transfer to produce molecular salts in bromanilic acid substituted-pyridine molecular complexes - predictable synthons?
PubMed: Synthesis, characterization and X-ray structure of the adducts of bis(O-butyldithiocarbonato)nickel(II) with substituted pyridines.
PubMed: Quantification of 18F-JNJ-42259152, a novel phosphodiesterase 10A PET tracer: kinetic modeling and test-retest study in human brain.
PubMed: Excited-state characteristics of tetracyanidonitridorhenium(V) and -technetium(V) complexes with N-heteroaromatic ligands.
PubMed: Preclinical evaluation of [(18)F]JNJ42259152 as a PET tracer for PDE10A.
PubMed: Human biodistribution and dosimetry of 18F-JNJ42259152, a radioligand for phosphodiesterase 10A imaging.
PubMed: [C7H10N][In3Se5]: a layered selenide with two indium coordination environments.
PubMed: New π-arene ruthenium(II) piano-stool complexes with nitrogen ligands.
PubMed: Molybdenum(VI) complexes of a 2,2'-biphenyl-bridged bis(amidophenoxide): competition between metal-ligand and metal-amidophenoxide π bonding.
PubMed: Substitution reactions in dinuclear Ru-Hbpp complexes: an evaluation of through-space interactions.
PubMed: Magnesium hydrides and the dearomatisation of pyridine and quinoline derivatives.
PubMed: Synthesis, in vivo occupancy, and radiolabeling of potent phosphodiesterase subtype-10 inhibitors as candidates for positron emission tomography imaging.
PubMed: Stable heteroleptic complexes of divalent lanthanides with bulky pyrazolylborate ligands--iodides, hydrocarbyls and triethylborohydrides.
PubMed: Structural correlations for (1)H, (13)C and (15)N NMR coordination shifts in Au(III), Pd(II) and Pt(II) chloride complexes with lutidines and collidine.
PubMed: A new spin crossover heterometallic Fe(II)Ag(I) coordination polymer with the [Ag(2)(CN)(3)](-) unit: crystallographic and magnetic study.
PubMed: Reactions of 'pincer' pyridine dicarbene complexes of Fe(0) with silanes.
PubMed: Factors dictating the nuclearity/aggregation and acetate coordination modes of lutidine-coordinated zinc(II) acetate complexes.
PubMed: Photomagnetism of a series of dinuclear Iron(II) complexes.
PubMed: Theoretical studies on the molecular structure and vibrational spectra of some dimethyl substituted pyridine derivatives.
PubMed: 'Pincer' pyridine dicarbene complexes of nickel and their derivatives. Unusual ring opening of a coordinated imidazol-2-ylidene.
PubMed: A three-dimensional open-framework indium selenide: [C(7)H(10)N][In(9)Se(14)].
PubMed: Mononuclear and polynuclear copper(I) complexes with a new N,N',S-donor ligand and with structural analogies to the copper thionein core.
PubMed: trans-Dichloridotetrakis(3,5-dimethylpyridine)copper(II).
PubMed: Reaction of bis[bis(tri-tert-butoxysilanethiolato) cadmium(II)] with 3,5-dimethylpyridine - 113Cd NMR solution study.
PubMed: The insertion reaction of acetonitrile on aryl nickel complexes stabilized by bidentate N,N'-chelating ligands.
PubMed: 2,6-Dibromo-3,5-dimethylpyridine and 2,6-diiodo-3,5-dimethylpyridine.
PubMed: Characterization of ZnE (E = S, Se, or Te) materials synthesized using silylated chalcogen reagents in mesoporous MCM-41.
PubMed: Sensitive quantification of omeprazole and its metabolites in human plasma by liquid chromatography-mass spectrometry.
PubMed: Global kinetic model: a case study on the N-oxidation of alkylpyridines.
PubMed: Rhenium oxo compounds containing eta2-pyrazolate ligands.
PubMed: Kinetics and mechanisms of the electron transfer reactions of oxo-centred carboxylate bridged complexes, [Fe3(mu3-O)(O2CR)6L3]ClO4, with verdazyl radicals in acetonitrile solution.
PubMed: Lanthanide(III)/actinide(III) differentiation in coordination of azine molecules to tris(cyclopentadienyl) complexes of cerium and uranium.
PubMed: Simple synthesis of a weak nucleophilic base (4-ethyl-2,6-diisopropyl-3,5-dimethylpyridine) evidencing a double Janus group effect.
PubMed: [Study on adductive reaction of Ni[(C4H9O)2PS2]2 with nitrogen base by spectrographic method].
PubMed: Photoinduced axial ligation and deligation dynamics of nonplanar nickel dodecaarylporphyrins.
PubMed: Mixed Chloride/Amine Complexes of Dimolybdenum(II,II). 4. Rotational Isomers of Mo(2)Cl(4)(R-py)(4) (R-py = 4-Picoline, 3,5-Lutidine, and 4-tert-Butylpyridine).
PubMed: Synthesis and Structural Characterization of (1,4-Dihydropyrid-1-yl)aluminum Complexes.
PubMed: Synthesis and Structure of Pd(II) Complexes Containing the C,C-Chelating Bis-Ylide Ligand [Ph(3)P=C(H)](2)CO. X-ray Crystal Structure of {Pd(&mgr;-Cl){[C(H)PPh(3)](2)CO}}(2)(ClO(4))(2).CH(2)Cl(2).
PubMed: Monomeric Three- and Four-Coordinate Magnesium Amides.
PubMed: Theoretical characterization of photoisomerization channels of dimethylpyridines on the singlet and triplet potential energy surfaces.
PubMed: Understanding the orientation and dynamic motion of planar heterocyclic N-donor ligands by exploiting the symmetry properties of mixed-ligand mu-oxorhenium(V) dinuclear complexes.
PubMed: Synthesis, Characterization, and Reactivity of Group 12 Metal Thiocarboxylates, M(SOCR)(2)Lut(2) [M = Cd, Zn; R = CH(3), C(CH(3))(3); Lut = 3,5-Dimethylpyridine (Lutidine)].
PubMed: Structural, Spectroscopic, and Magnetochemical Characterization of the Trinuclear Vanadium(III) Carboxylates [V(3)O(O(2)CR)(6)L(3)](ClO(4)) (R = Various Groups; L = Pyridine, 4-Picoline, 3,5-Lutidine).
PubMed: Comparative Kinetic Analysis of Reversible Intermolecular Electron-Transfer Reactions between a Series of Pentaammineruthenium Complexes and Cytochrome c.
PubMed: Use of borinium ions as probes of steric effects in gas-phase ion-molecule complexes.
PubMed: Buffer dependence of CO2 hydration catalyzed by human carbonic anhydrase I.
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