4-Ethylbenzaldehyd
4-Ethylbenzaldehyde
Grundinformationen
- CAS
4748-78-1- Standard-SMILES
CCc1ccc(C=O)cc1- InChIKey
QNGNSVIICDLXHT-UHFFFAOYSA-N- Summenformel
- C9H10O
- Durchschnittliche Molmasse
- 134,17 g/mol
- Monoisotopische Masse
- 134,07316494
Überblick
4-Ethylbenzaldehyde is a carbonyl compound.
Namen und Bezeichner
- Bevorzugter Name
- 4-Ethylbenzaldehyde
- IUPAC
- 4-ethylbenzaldehyde
- Lokaler Name
- 4-Ethylbenzaldehyd
- Englischer Name
- 4-Ethylbenzaldehyde
- Summenformel
- C9H10O
- Molmasse
- 134.18
Namen und Synonyme
4-ETHYLBENZALDEHYDE4748-78-1p-EthylbenzaldehydeBenzaldehyde, 4-ethyl-4-ethyl benzaldehydeEthylbenzaldehyde, p-FEMA No. 3756Benzaldehyde, P-ethyl-289PPW3SG4DTXSID0047080BENZALDEHYDE,4-ETHYLEINECS 225-268-8
Weitere Namen anzeigen
FEMA 3756Ethyl-benzaldehydeethylbenzaldhydeAKOS BBS-000031474-ethyl-benzaldehydLABOTEST-BB LT00429577
DTXCID80270804-ETHYLBENZALDEHYDE [FHFI]RefChem:522845225-268-8InChI=1/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H4-EthYl-BenzaldehydeEbalEthyl benzaldehyde
Datenbank-Bezeichner
- CAS
4748-78-1、53951-50-1- PubChem CID
- 20861
- DTXSID
DTXSID0047080- ChEMBL
CHEMBL1887227- ChEBI
CHEBI:167400- UNII
- 289PPW3SG4
- EC Number
- 225-268-8
- Nikkaji
- J38.078D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 101
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesCoriolis coupling
Fragrances
Fragrance substance (p-Ethylbenzaldehyde) -> IFRA amendment 49
Fragrance Ingredient (4-Ethylbenzaldehyde) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.980-1.000
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
220.00 to 222.00 °C. @ 760.00 mm Hg
220 °C
Refractive Index1.538-1.542
Physical Descriptioncolourless to pale yellow liquid with a sweet, bitter-almond odour
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (85.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 281 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzaldehyde, 4-ethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: 4-ethylbenzaldehyde (EC: 225-268-8)
Benzaldehyde, 4-ethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (85.1%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29122990
- risk_code
- 36/37/38-22
- hazard_code
- Xi,Xn
- safety_code
- 26-27-28-36/37/39-37/39
- hazard_class
- IRRITANT
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
IFRA Fragrance Standards
p-Ethylbenzaldehyde
4-Ethylbenzaldehyde; Benzaldehyde, 4-ethyl
IFRA_STD_034.pdf
49
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzaldehyde, 4-ethyl-: ACTIVE
Restriction Limits in the Finished Product (%)
0.085 [Products applied to the lips]
0.025 [Products applied to the axillae]
0.51 [Products applied to the face/body using fingertips]
0.47 [Products related to fine fragrances]
0.12 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.12 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
Anwendungen
OccurrenceReported found in roasted turkey, grilled and roasted beef, roasted chicken, cider, black tea, roasted peanuts and cooked trassi
Verwenden4-Ethylbenzaldehyde has been used in the synthesis of 4,4′-diaminotriphenylmethanes under microwave irradiation, which is useful for parallel library syntheses.
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