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alpha-METHYLCINNAMALDEHYDE

HCID 5372813
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GrundinformationenNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
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Grundinformationen

CAS
101-39-3
Standard-SMILES
C/C(C=O)=C\c1ccccc1
InChIKey
VLUMOWNVWOXZAU-VQHVLOKHSA-N
Summenformel
C10H10O
Durchschnittliche Molmasse
146,19 g/mol
Monoisotopische Masse
146,07316494

Namen und Bezeichner

Bevorzugter Name
alpha-METHYLCINNAMALDEHYDE
IUPAC
(E)-2-methyl-3-phenylprop-2-enal
Englischer Name
alpha-Methylcinnamylaldehyde
Summenformel
C10H10O
Molmasse
146.19

Namen und Synonyme

15174-47-7ALPHA-METHYLCINNAMALDEHYDE101-39-32-Methyl-3-phenylacrylaldehyde2-methyl-3-phenylprop-2-enal2-Methyl-3-phenylacrolein(E)-2-Methyl-3-phenylacroleinalpha-Methyl-trans-cinnamaldehyde(E)-2-methyl-3-phenylprop-2-enal2-Methyl-3-phenyl-2-propenal2-Propenal, 2-methyl-3-phenyl-(E)-Alpha-Methylcinnamaldehyde
Weitere Namen anzeigen
α-Methylcinnamylaldehydealpha-MethylcinnamylaldehydeEpalrestat Aldehyde ImpurityΑ-Methyl-Trans-Cinnamaldehyde2-Methyl-3-phenyl-trans-prop-2-enal2-Propenal, 2-methyl-3-phenyl-, (2E)-α-Methyl-trans-cinnamaldehyde4-oxo-2-mercapto-thiazole-3-acetic acid (intermediate of epalrestat)
(E)-2-Methyl-3-phenylpropenalalpha-MethylcinnimalCinnamaldehyde, alpha-methylFEMA No. 2697(2E)-2-Methyl-3-phenyl-2-propenalCinnamaldehyde, .alpha.-methyl-2-Methyl-3-phenyl-2-propen-1-al.alpha.-Methylcinnamaldehyde

Datenbank-Bezeichner

CAS
101-39-3、15174-47-7
PubChem CID
5372813
DTXSID
DTXSID401018359
UNII
1C647N9853
EC Number
202-938-8、701-219-0
Nikkaji
J161.351K、J33.986E

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
2,2
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
2
Schwere Atome
11
Formalladung
0
Komplexität
152

Experimentelle und physikochemische Eigenschaften

Density · 2 Einträge

1.0407 at 63 °F (NTP, 1992) - Denser than water; will sink

1.034-1.040

Solubility · 3 Einträge

less than 1 mg/mL at 70 °F (NTP, 1992)

insoluble in water; soluble in oils

miscible (in ethanol)

Flash Point175 °F (NTP, 1992)
Boiling Point · 2 Einträge

302 °F at 100 mmHg (NTP, 1992)

148 °C (27 mm Hg)

Refractive Index1.598-1.607
Physical Description · 3 Einträge

Alpha-methylcinnamaldehyde is a clear yellow liquid. (NTP, 1992)

Liquid; CBI

Yellow liquid, cinnamon-like odour

Kovats Retention Index · 2 Einträge

1309;1309;1303.1;1330

1992;1992

Physikochemische Eigenschaften

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 · 6 Einträge

Warning

H317 (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.

Gefahrenhinweise

Regulatory Information · 5 Einträge

Chemical: 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/23851

2-Propenal, 2-methyl-3-phenyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Cinnamic aldehydes: Environment tier II assessment
DOT LabelCombustible Liquid
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health Hazards

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 7,000,000 - <8,500,000 lb;2022: 8,500,000 - <10,000,000 lb;2021: 8,500,000 - <10,000,000 lb;2020: 8,500,000 - <10,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable;Fragrance
Industry UsesFragrance;Flavoring and nutrient
IFRA Fragrance Standards · 6 Einträge

alpha-Methyl cinnamic aldehyde

α-Methylcinnamaldehyde; α-Methylcinnamyl aldehyde; α-Methylcinnamic aldehyde; 2-Methyl-3-phenyl-2-propenal; 3-Phenyl-2-methylacrolein; 2-Propenyl, 2-methyl-3-phenyl-

IFRA_STD_060.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

Household ProductsInformation on 35 consumer products that contain Methylcinnamic Aldehyde in the following categories is provided:;• Auto Products;• Commercial / Institutional;• Inside the Home
Use Classification · 3 Einträge

Fragrance Ingredients

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information · 2 Einträge

Food, beverage, and tobacco product manufacturing;Miscellaneous Manufacturing;All Other Basic Organic Chemical Manufacturing;All Other Chemical Product and Preparation Manufacturing

2-Propenal, 2-methyl-3-phenyl-: ACTIVE

Restriction Limits in the Finished Product (%) · 6 Einträge

0.27 [Products applied to the lips]

0.08 [Products applied to the axillae]

1.6 [Products applied to the face/body using fingertips]

1.5 [Products related to fine fragrances]

0.38 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]

Zugehörige Reaktionen

10
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 601072
HRID 601072als Eduktuspto-grants-2011_03
Reaktionsgleichung von HRID 913213
HRID 913213als Eduktuspto-grants-2011_09
Reaktionsgleichung von HRID 970766
HRID 970766als Eduktuspto-grants-2007_12
Reaktionsgleichung von HRID 1099338
HRID 1099338als Eduktuspto-grants-2012_03
Reaktionsgleichung von HRID 1176102
HRID 1176102als Eduktuspto-grants-2010_11
Reaktionsgleichung von HRID 1967066
HRID 1967066als Eduktuspto-grants-2013_04
Reaktionsgleichung von HRID 2110824
HRID 2110824als Eduktuspto-grants-2009_04
Reaktionsgleichung von HRID 2110834
HRID 2110834als Eduktuspto-grants-2009_04
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Auf dieser SeiteGrundinformationenNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
Siedepunkt
130 °C · 130 °C(Press: 5 Torr)
Dichte
1.042 g/cm3 · 1.042 g/cm3
Dampfdruck
3.33 · 3.33-3.333Pa at 25℃
Löslichkeit
Chloroform, Methanol (Slightly)
Aggregatzustand
Liquid
Geruch (Odor)
100 % · at 100.00 %. cinnamon spicy cassia
Geruchsart
spicy
Stabilität
Air Sensitive
LogP
2.471 at · 2.471 at 25℃ and pH7-8
SYMPTOMS: 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)
Reactive GroupAldehydes;Hydrocarbons, Aromatic;Hydrocarbons, Aliphatic Unsaturated
Reactivity ProfileALPHA-METHYLCINNAMALDEHYDE is incompatible with strong oxidizing agents and strong bases. (NTP, 1992)
Air and Water ReactionsInsoluble in water.
Hazard Classes and Categories · 2 Einträge

Skin Sens. 1A (99.7%)

Skin Sens. 1 (100%);Aquatic Acute 1 (84.6%);Aquatic Chronic 2 (84.6%)

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

EYES: 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 area; take 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 used; if 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)

Nonfire Spill Response · 1 Eintrag

SMALL 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 Evacuation · 1 Eintrag

Excerpt 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 directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Personal Protective Equipment (PPE) · 1 Eintrag

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)

Regulatorische Informationen

Regulatory Information · 5 Einträge

Chemical: 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/23851

2-Propenal, 2-methyl-3-phenyl-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

Alarmwort
Warnung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H317

0.38 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]

Anwendungen

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

Anbieter46 Anbieter

湖北万得化工有限公司15377098680 15377098680 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
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Alfa Chemistry+1-5166625404 · [email protected]
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上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
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湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
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杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
Aladdin Scientific[email protected]
湖北达豪化工有限公司027-59106191 13986034860 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
北京偶合科技有限公司13552068683 13522913783 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
广州市震霖医药科技有限公司020-18102736 13622807357 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]