HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,4-Dimethylpyridine
LUTIDINE · 2,4-DIMETHYLPYRIDINE · 24L · 2,4-Lutidene · 2,4-LUTIDINE · 2,4-Lutidine>2,4-Lutidine 99% · 2,4-LUTIDINE 98+% · 2,4-dimethyl-pyridin

Identifiers & Physical Properties
| CAS No. | 108-47-4 |
|---|---|
| Molecular formula | C7H9N |
| Average molar mass | 107.15 g/mol |
| Monoisotopic mass | 107.07349929 g/mol |
| SMILES | Cc1ccnc(C)c1 |
| InChIKey | JYYNAJVZFGKDEQ-UHFFFAOYSA-N |
| PubChem CID | 7936 |
| ChEMBL | CHEMBL5286019 |
| ChEBI | CHEBI:192115 |
| EC No. | 203-586-8 |
| DTXSID | DTXSID2051556 |
Chemical & Physical Properties
| XLogP | 1.6 |
|---|---|
| Topological polar surface area | 12.9 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 70.8 |
| Chemical classes | Nitrogen Compounds -> Pyridines |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| Fragrances | Fragrance Ingredient (2,4-Dimethylpyridine) -> IFRA transparency List |
| LogP (partition coefficient) | 1.58 |
| Food additives | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Density | 0.929 - 0.935 (20º)0.927 g/mL at 25 °C (lit.) |
| Flavoring agents | EU Flavoring substances |
| Solubility | 350 mg/mL at 25 °CSlightly soluble in waterSoluble (in ethanol)350g/l15 g/100 mL (20 ºC) |
| Boiling point | 158-159º145.7 °C @760 [mm Hg]159 °C (lit.) |
| Melting point | -64 °C-6.1 °C-60 °C (lit.) |
| Vapor pressure | 3.17 [mmHg]5.65 [mm Hg] @25 °C3.28hPa at 25℃ |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| FEMA | 4389 | 2,4-DIMETHYLPYRIDINE |
| Refractive index | n20/D 1.499(lit.) |
| FLAVIS Number | 14.104 | 2,4-Dimethylpyridine |
| Flash point | 99 °F |
| Storage conditions | Flammables area |
| Physical state | Liquid |
| pKa (acidity coefficient) | 6.99(at 25℃) |
| Color | Colorless to Light yellow to Light orange |
| Odor | at 0.01 % in dipropylene glycol. smoky phenolic |
| Odor type | smoky |
| Specific heat capacity | Cp(liquid): 1.72 J/(g·K), at 25℃ |
| Sensitivity | Hygroscopic |
| JECFA Number | 2151 |
| BRN | 1506 |
| Henry's law constant | 9.9×10-1 mol/(m3Pa) at 25℃, Hawthorne et al. (1985) |
| Dielectric constant | 9.5999999999999996 |
| Major applications | flavors and fragrances |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3 |
| InChIKey | JYYNAJVZFGKDEQ-UHFFFAOYSA-N |
| SMILES | Cc1ccnc(C)c1 |
| LogP (partition coefficient) | 1.9 |
| CAS DataBase Reference | 108-47-4(CAS DataBase Reference) |
| Substances Added to Food (formerly EAFUS) | 2,4-DIMETHYLPYRIDINE |
| FDA 21 CFR | 177.1520 |
| EWG's Food Scores | 1 |
| FDA UNII | 83903UJ0WW |
| NIST Chemistry Reference | Pyridine, 2,4-dimethyl-(108-47-4) |
| EPA Substance Registry System | 2,4-Dimethylpyridine (108-47-4) |
| UNSPSC Code | 85151701 |
| NACRES | NA.22 |
| GHS pictogram | GHS02,GHS06 |
| Signal word | Danger |
| GHS hazard statements | H301-H315-H319-H226 |
| GHS precautionary statements | P501-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P310+P330-P403+P235-P405 |
| Target organs | Respiratory system |
| Hazard symbols | T,F,Xi |
| Risk statements (R) | 10-23/24/25-36/37/38-25-20/21-20/21/22 |
| Safety statements (S) | 16-26-36/37/39-45 |
| UN transport number | UN 1992 3/PG 3 |
| Water hazard class (WGK) | 3 |
| RTECS number | OK9400000 |
| F | 8 |
| TSCA inventory status | TSCA listed |
| Hazard class | 3Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Packing group | III |
| Customs code | 29333999 |
| Storage class | 3 - Flammable liquids |
| REACH registrations | Active |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
Safety & Regulations
| GHS classification | WarningH226 (11.3%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1450 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Chemical: Pyridine, 2,4-dimethyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 17-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/320272,4-Dimethylpyridine: Does not have an individual approval but may be used under an appropriate group standard |
| Hazards summary | A skin, respiratory tract, and strong eye irritantHighly toxic by inhalationToxic by ingestion and skin absorption[Aldrich MSDS] See Pyridine. |
| Hazard Classes and Categories | Flam. Liq. 3 (11.3%) |
| Protective Action Criteria (PAC) | 0.60 [mg/m3]6.6 [mg/m3]40 [mg/m3] |
| F | 8 |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| RTECS number | OK9400000 |
| UN transport number | UN 1992 3/PG 3 |
| Customs code | 29333999 |
| Risk statements (R) | 10-23/24/25-36/37/38-25-20/21-20/21/22 |
| Signal word | Danger |
| GHS pictogram | GHS02,GHS06 |
| Hazard symbols | T,F,Xi |
| Safety statements (S) | 16-26-36/37/39-45 |
| Hazard class | 3Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Storage class | 3 - Flammable liquids |
| Packing group | III |
| Target organs | Respiratory system |
| GHS hazard statements | H301-H315-H319-H226 |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
| REACH registrations | Active |
| GHS precautionary statements | P501-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P310+P330-P403+P235-P405 |
Applications & Uses
Uses
2,4-Lutidine, can be used as a building block in the synthesis of various chemical compounds. It is also used tobacco and aroma component.
Preparation & Synthesis
Preparation
2,4-Lutidine is produced industrially by extraction from coal tars.