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HCID 668187Erstellt: 27. Oktober 2026

Ethyl-2-cyancinnamat

Ethyl 2-cyanocinnamate · Ethyl αAURORA KA-3351 · -Cyanocinnamate · RARECHEM AK ML 0016 · -Thioglucopyranoside · -Bromoethylglyoxalate · Ethyl α-CyanocinnaMate · ETHYL-A-CYANOCINNAMATE

https://huagongshe.com/de/chemical/668187

Molekülstruktur von Ethyl-2-cyancinnamat

Identifikatoren & physikalische Daten

CAS No.	2025-40-3
Summenformel	C12H11NO2
Durchschnittliche Molmasse	201,22 g/mol
Monoisotopische Masse	201,07897859 g/mol
SMILES	CCOC(=O)/C(C#N)=C/c1ccccc1
InChIKey	KCDAMWRCUXGACP-DHZHZOJOSA-N
PubChem CID	668187
ChEMBL	CHEMBL4091929
EC No.	634-979-6
Lokaler Name	Ethyl-2-cyancinnamat

Chemische & physikalische Eigenschaften

XLogP	2,4
Polarare Oberfläche (TPSA)	50,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	4
Schwere Atome	15
Formalladung	0
Komplexität	292
Schmelzpunkt	51-53 °C(lit.)
Siedepunkt	188 °C15 mm Hg(lit.)
Dichte	1.1076
Brechungsindex	1.5033 (estimate)
Flammpunkt	>230 °F
Lagerbedingungen	Store at room temperature
Löslichkeit	soluble in Methanol
Aggregatzustand	powder to crystal
Farbe	White to Light yellow
EPA chemische Informationen	2-Propenoic acid, 2-cyano-3-phenyl-, ethyl ester (2025-40-3)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (100%): 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, P317, 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 39 reports by companies from 2 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.
Hazard Classes and Categories	Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
Zollcode	2926.90.4801
R-Sätze (R)	20/21/22-36/37/38
Gefahrensymbole	Xn
Sicherheitshinweise (S)	26-36

CAS No.

2025-40-3

Summenformel

C12H11NO2

Durchschnittliche Molmasse

201,22 g/mol

Monoisotopische Masse

201,07897859 g/mol

SMILES

CCOC(=O)/C(C#N)=C/c1ccccc1

InChIKey

KCDAMWRCUXGACP-DHZHZOJOSA-N

PubChem CID

668187

ChEMBL

CHEMBL4091929

EC No.

634-979-6

Lokaler Name

Ethyl-2-cyancinnamat

Chemische & physikalische Eigenschaften

XLogP

2,4

Polarare Oberfläche (TPSA)

50,1

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

292

Schmelzpunkt

51-53 °C(lit.)

Siedepunkt

188 °C15 mm Hg(lit.)

Dichte

1.1076

Brechungsindex

1.5033 (estimate)

Flammpunkt

>230 °F

Lagerbedingungen

Store at room temperature

Löslichkeit

soluble in Methanol

Aggregatzustand

powder to crystal

Farbe

White to Light yellow

EPA chemische Informationen

2-Propenoic acid, 2-cyano-3-phenyl-, ethyl ester (2025-40-3)

Sicherheit & Vorschriften

GHS-Einstufung

WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (100%): 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, P317, 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 39 reports by companies from 2 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.

Hazard Classes and Categories

Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)

Wassergefährdungsklasse (WGK)

TSCA-Inventar-Status

TSCA listed

Zollcode

2926.90.4801

R-Sätze (R)

20/21/22-36/37/38

Gefahrensymbole

Sicherheitshinweise (S)

26-36