Grundinformationen
- Standard-SMILES
Cc1ccnc(C)c1- InChIKey
JYYNAJVZFGKDEQ-UHFFFAOYSA-N- Summenformel
- C7H9N
- Durchschnittliche Molmasse
- 107,15 g/mol
- Monoisotopische Masse
- 107,07349929
Überblick
2,4-Dimethylpyridine is a member of methylpyridines.
Namen und Bezeichner
- Bevorzugter Name
- 2,4-Dimethylpyridine
- IUPAC
- 2,4-dimethylpyridine
- Lokaler Name
- 2,4-Dimethylpyridin
- Englischer Name
- 2,4-Lutidine
- Summenformel
- C7H9N
- Molmasse
- 107.15
Namen und Synonyme
2,4-Lutidine2,4-DIMETHYLPYRIDINE108-47-4Pyridine, 2,4-dimethyl-alpha,gamma-Dimethylpyridine83903UJ0WWNSC-2156DTXSID2051556FEMA NO. 4389RefChem:82549DTXCID6030108203-586-8
Weitere Namen anzeigen
LUTIDINE24L2,4-Lutidine>2,4-Lutidine 99%2,4-LUTIDINE 98+%2,4-dimethyl-pyridinα,γ-dimethylpyridine
2,4-dimethyl-pyridine2,4-Lutidene.alpha.,.gamma.-DimethylpyridineMFCD00006337CHEMBL5286019NSC 2156EINECS 203-586-8BRN 0001506
Datenbank-Bezeichner
- CAS
108-47-4- PubChem CID
- 7936
- DTXSID
DTXSID2051556- ChEMBL
CHEMBL5286019- ChEBI
CHEBI:192115- UNII
- 83903UJ0WW
- EC Number
- 203-586-8
- Nikkaji
- J5.077F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 12,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 70,8
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Pyridines
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
FragrancesFragrance Ingredient (2,4-Dimethylpyridine) -> IFRA transparency List
LogP1.58
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.929 - 0.935 (20º)
Flavoring AgentsEU Flavoring substances
Solubility
350 mg/mL at 25 °C
Slightly soluble in water
Soluble (in ethanol)
Boiling Point
158-159º
145.7 °C @760 [mm Hg]
Melting Point
-64 °C
-6.1 °C
Vapor Pressure
3.17 [mmHg]
5.65 [mm Hg] @25 °C
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physikochemische Eigenschaften
- Schmelzpunkt
- -60 °C · -60 °C (lit.)
- Siedepunkt
- 159 °C · 159 °C (lit.)
- Dichte
- 0.927 g/mL · 0.927 g/mL at 25 °C (lit.)
- Dampfdruck
- 3.28 hPa · 3.28hPa at 25℃
- FEMA
- 4389 · 4389 | 2,4-DIMETHYLPYRIDINE
- Brechungsindex
- 20 · n20/D 1.499(lit.)
- Flammpunkt
- 99 °F · 99 °F
- storage temp.
- Flammables area
- Löslichkeit
- 350 g/l · 350g/l
- Aggregatzustand
- Liquid
- pka
- 6.99 · 6.99(at 25℃)
- Farbe
- Colorless to Light yellow to Light orange
- Geruch (Odor)
- 0.01 % · at 0.01 % in dipropylene glycol. smoky phenolic
- Geruchsart
- smoky
- Wasserlöslichkeit
- 15 g/100 · 15 g/100 mL (20 ºC)
- Spezifische Wärmekapazität
- 1.72 J/ · Cp(liquid): 1.72 J/(g·K), at 25℃
- JECFA Number
- 2151 · 2151
- BRN
- 1506 · 1506
- Henry's Law Constant
- 9.9 · 9.9×10-1 mol/(m3Pa) at 25℃, Hawthorne et al. (1985)
- Dielectric constant
- 9.6 · 9.5999999999999996
- Major Application
- flavors and fragrances
- Kosmetik-Inhaltsstoffe Funktionen
- 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
- 1.9 · 1.9
- CAS Datenbank
- 108 · 108-47-4(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Pyridine, 2,4-dimethyl-(108-47-4)
- EPA chemische Informationen
- 2 · 2,4-Dimethylpyridine (108-47-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (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.
Gefahrenhinweise
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/32027
2,4-Dimethylpyridine: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin, respiratory tract, and strong eye irritant; Highly toxic by inhalation; Toxic by ingestion and skin absorption; [Aldrich MSDS] See Pyridine.
Hazard Classes and CategoriesFlam. Liq. 3 (11.3%)
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
0.60 [mg/m3]
6.6 [mg/m3]
40 [mg/m3]
Sicherheitsdaten
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1992 3/PG 3
- hs_code
- 29333999
- RTECS-Nr.
- OK9400000
- risk_code
- 10-23/24/25-36/37/38-25-20/21-20/21/22
- hazard_code
- T,F,Xi
- safety_code
- 16-26-36/37/39-45
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationPyridine, 2,4-dimethyl-: ACTIVE
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