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HCID 20861Erstellt: 27. Oktober 2026

4-Ethylbenzaldehyd

FEMA 3756 · Ethyl-benzaldehyde · P-ETHYLBENZALDEHYDE · Ebal · ethylbenzaldhyde · AKOS BBS-00003147 · 4-ethyl-benzaldehyd · 4-ETHYLBENZALDEHYDE

https://huagongshe.com/de/chemical/20861

Identifikatoren & physikalische Daten

CAS No.	4748-78-1
Summenformel	C9H10O
Durchschnittliche Molmasse	134,17 g/mol
Monoisotopische Masse	134,07316494 g/mol
SMILES	CCc1ccc(C=O)cc1
InChIKey	QNGNSVIICDLXHT-UHFFFAOYSA-N
PubChem CID	20861
ChEMBL	CHEMBL1887227
ChEBI	CHEBI:167400
EC No.	225-268-8
DTXSID	DTXSID0047080
Lokaler Name	4-Ethylbenzaldehyd

Chemische & physikalische Eigenschaften

XLogP	2,4
Polarare Oberfläche (TPSA)	17,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	2
Schwere Atome	10
Formalladung	0
Komplexität	101
Dichte	0.980-1.0000.979 g/mL at 25 °C (lit.)
Löslichkeit	insoluble in watersoluble in organic solvents, oilsmiscible at room temperature (in ethanol)Not miscible or difficult to mix in water. Soluble in alcohol.
Siedepunkt	220.00 to 222.00 °C. @ 760.00 mm Hg220 °C221 °C (lit.)
Brechungsindex	1.538-1.542n20/D 1.539(lit.)
Physical Description	colourless to pale yellow liquid with a sweet, bitter-almond odour
Kovats Retention Index	11641180118111631206117511691194115511711164.219717191721173017141712174517531728173517521711173117471154117411521147
Dampfdruck	16.67Pa at 25℃
FEMA	3756 \| 4-ETHYLBENZALDEHYDE
Flammpunkt	198 °F
Lagerbedingungen	4°C, stored under nitroge
Aggregatzustand	Liquid
Farbe	Clear colorless to light yellow
Geruch	at 10.00 % in dipropylene glycol. bitter almond sweet anise
Geruchsart	fruity
Biologische Quelle	synthetic
JECFA Number	865
BRN	636027
Hauptanwendungen	flavors and fragrances
Kosmetik-Inhaltsstoffe Funktionen	PERFUMING
InChI	1S/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H3
InChIKey	QNGNSVIICDLXHT-UHFFFAOYSA-N
SMILES	[H]C(=O)c1ccc(CC)cc1
LogP (Verteilungskoeffizient)	2.75 at 25℃
CAS Datenbank	4748-78-1(CAS DataBase Reference)
NIST chemische Informationen	Benzaldehyde, 4-ethyl-(4748-78-1)
EPA chemische Informationen	Benzaldehyde, 4-ethyl- (4748-78-1)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (85.1%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (15.3%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (15.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (13.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Regulatorische Informationen	Chemical: Benzaldehyde, 4-ethyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 23-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27052Benzaldehyde, 4-ethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Acute Tox. 4 (85.1%)Skin Irrit. 2 (15.3%)Eye Irrit. 2A (15.3%)STOT SE 3 (13.9%)
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
Zollcode	29122990
R-Sätze (R)	36/37/38-22
Gefahrensymbole	Xi,Xn
Sicherheitshinweise (S)	26-27-28-36/37/39-37/39

Anwendungen & Verwendung

Occurrence

Reported found in roasted turkey, grilled and roasted beef, roasted chicken, cider, black tea, roasted peanuts and cooked trassi

Verwenden

4-Ethylbenzaldehyde has been used in the synthesis of 4,4′-diaminotriphenylmethanes under microwave irradiation, which is useful for parallel library syntheses.

CAS No.

4748-78-1

Summenformel

C9H10O

Durchschnittliche Molmasse

134,17 g/mol

Monoisotopische Masse

134,07316494 g/mol

SMILES

CCc1ccc(C=O)cc1

InChIKey

QNGNSVIICDLXHT-UHFFFAOYSA-N

PubChem CID

20861

ChEMBL

CHEMBL1887227

ChEBI

CHEBI:167400

EC No.

225-268-8

DTXSID

DTXSID0047080

Lokaler Name

4-Ethylbenzaldehyd

Chemische & physikalische Eigenschaften

XLogP

2,4

Polarare Oberfläche (TPSA)

17,1

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

101

Dichte

0.980-1.0000.979 g/mL at 25 °C (lit.)

Löslichkeit

insoluble in watersoluble in organic solvents, oilsmiscible at room temperature (in ethanol)Not miscible or difficult to mix in water. Soluble in alcohol.

Siedepunkt

220.00 to 222.00 °C. @ 760.00 mm Hg220 °C221 °C (lit.)

Brechungsindex

1.538-1.542n20/D 1.539(lit.)

Physical Description

colourless to pale yellow liquid with a sweet, bitter-almond odour

Kovats Retention Index

11641180118111631206117511691194115511711164.219717191721173017141712174517531728173517521711173117471154117411521147

Dampfdruck

16.67Pa at 25℃

FEMA

3756 | 4-ETHYLBENZALDEHYDE

Flammpunkt

198 °F

Lagerbedingungen

4°C, stored under nitroge

Aggregatzustand

Liquid

Farbe

Clear colorless to light yellow

Geruch

at 10.00 % in dipropylene glycol. bitter almond sweet anise

Geruchsart

fruity

Biologische Quelle

synthetic

JECFA Number

865

BRN

636027

Hauptanwendungen

flavors and fragrances

Kosmetik-Inhaltsstoffe Funktionen

PERFUMING

InChI

1S/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H3

InChIKey

QNGNSVIICDLXHT-UHFFFAOYSA-N

SMILES

[H]C(=O)c1ccc(CC)cc1

LogP (Verteilungskoeffizient)

2.75 at 25℃

CAS Datenbank

4748-78-1(CAS DataBase Reference)

NIST chemische Informationen

Benzaldehyde, 4-ethyl-(4748-78-1)

EPA chemische Informationen

Benzaldehyde, 4-ethyl- (4748-78-1)

Sicherheit & Vorschriften

GHS-Einstufung

WarningH302 (85.1%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (15.3%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (15.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (13.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Regulatorische Informationen

Chemical: Benzaldehyde, 4-ethyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 23-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27052Benzaldehyde, 4-ethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories

Acute Tox. 4 (85.1%)Skin Irrit. 2 (15.3%)Eye Irrit. 2A (15.3%)STOT SE 3 (13.9%)

Wassergefährdungsklasse (WGK)

TSCA-Inventar-Status

TSCA listed

Zollcode

29122990

R-Sätze (R)

36/37/38-22

Gefahrensymbole

Xi,Xn

Sicherheitshinweise (S)

26-27-28-36/37/39-37/39

Anwendungen & Verwendung

Occurrence

Reported found in roasted turkey, grilled and roasted beef, roasted chicken, cider, black tea, roasted peanuts and cooked trassi

Verwenden

4-Ethylbenzaldehyde has been used in the synthesis of 4,4′-diaminotriphenylmethanes under microwave irradiation, which is useful for parallel library syntheses.