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HCID 5372813Erstellt: 3. November 2026

alpha-METHYLCINNAMALDEHYDE

α-Methylcinnamylaldehyde · alpha-Methylcinnamylaldehyde · Epalrestat Aldehyde Impurity · Α-Methyl-Trans-Cinnamaldehyde · 2-Methyl-3-phenyl-trans-prop-2-enal · 2-Propenal, 2-methyl-3-phenyl-, (2E)- · 4-oxo-2-mercapto-thiazole-3-acetic acid (intermediate of epalrestat)

https://huagongshe.com/de/chemical/5372813

Molekülstruktur von alpha-METHYLCINNAMALDEHYDE

Identifikatoren & physikalische Daten

CAS No.101-39-3
SummenformelC10H10O
Durchschnittliche Molmasse146,19 g/mol
Monoisotopische Masse146,07316494 g/mol
SMILESC/C(C=O)=C\c1ccccc1
InChIKeyVLUMOWNVWOXZAU-VQHVLOKHSA-N
PubChem CID5372813
EC No.202-938-8
DTXSIDDTXSID401018359

Chemische & physikalische Eigenschaften

XLogP2,2
Polarare Oberfläche (TPSA)17,1
H-Brücken-Donoren0
H-Brücken-Akzeptoren1
Frei drehbare Bindungen2
Schwere Atome11
Formalladung0
Komplexität152
Dichte1.0407 at 63 °F (NTP, 1992) - Denser than waterwill sink1.034-1.0401.042 g/cm3
Löslichkeitless than 1 mg/mL at 70 °F (NTP, 1992)insoluble in watersoluble in oilsmiscible (in ethanol)Chloroform, Methanol (Slightly)
Flammpunkt175 °F (NTP, 1992)
Siedepunkt302 °F at 100 mmHg (NTP, 1992)148 °C (27 mm Hg)130 °C(Press: 5 Torr)
Brechungsindex1.598-1.607
Physical DescriptionAlpha-methylcinnamaldehyde is a clear yellow liquid. (NTP, 1992)CBIYellow liquid, cinnamon-like odour
Kovats Retention Index13091303.113301992
Dampfdruck3.33-3.333Pa at 25℃
AggregatzustandLiquid
Geruchat 100.00 %. cinnamon spicy cassia
Geruchsartspicy
StabilitätAir Sensitive
LogP (Verteilungskoeffizient)2.471 at 25℃ and pH7-8

Sicherheit & Vorschriften

GHS-EinstufungWarningH317 (99.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1826 reports by companies from 10 notifications to the ECHA C&L Inventory.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 InformationenChemical: 2-Propenal, 2-methyl-3-phenyl-Regulation (EC) No 1831/2003 (amended)2-Propenal, 2-methyl-3-phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenal, 2-methyl-3-phenyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 18-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/238512-Propenal, 2-methyl-3-phenyl-: Does not have an individual approval but may be used under an appropriate group standard
Weitere SicherheitsinformationenIMAP assessments - Cinnamic aldehydes: Environment tier II assessment
DOT-KennzeichnungCombustible Liquid
BrandgefahrenThis chemical is combustible. (NTP, 1992)
GesundheitsgefahrenSYMPTOMS: This compound causes irritation on contact.ACUTE/CHRONIC HAZARDS: This compound may cause irritation on contact. When heated to decomposition it emits toxic fumes. (NTP, 1992)
Reaktive GruppeAldehydesHydrocarbons, AromaticHydrocarbons, Aliphatic Unsaturated
Reactivity ProfileALPHA-METHYLCINNAMALDEHYDE is incompatible with strong oxidizing agents and strong bases. (NTP, 1992)

Anwendungen & Verwendung

Verwenden

alpha-Methyl-trans-cinnamaldehyde is a compound with antifungal activity for proteomics research use.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Sens. 1A (99.7%)Skin Sens. 1 (100%)Aquatic Acute 1 (84.6%)Aquatic Chronic 2 (84.6%)
BrandbekämpfungFires involving this material should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
Erste HilfeEYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.INHALATION: IMMEDIATELY leave the contaminated areatake deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be usedif not available, use a level of protection greater than or equal to that advised under Protective Clothing.INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
Freisetung ohne BrandSMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.STORAGE PRECAUTIONS: You should store this chemical under refrigerated temperatures, and keep it away from oxidizing materials. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)
Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area for at least 50 meters (150 feet) in all directions.LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet).FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directionsalso, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)
Personal Protective Equipment (PPE)RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
AlarmwortWarnung
GefahrenhinweiseCode Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H317