Phenylacetaldehyd

Phenylacetaldehyde

HCID 998CAS 122-78-1

Grundinformationen

Standard-SMILES
O=CCc1ccccc1
InChIKey
DTUQWGWMVIHBKE-UHFFFAOYSA-N
Summenformel
C8H8O
Durchschnittliche Molmasse
120,15 g/mol
Monoisotopische Masse
120,05751487

Namen und Bezeichner

Bevorzugter Name
Phenylacetaldehyde
IUPAC
2-phenylacetaldehyde
Lokaler Name
Phenylacetaldehyd
Englischer Name
Phenylacetaldehyde
Summenformel
C8H8O
Molmasse
120.15

Namen und Synonyme

phenylacetaldehyde2-phenylacetaldehyde122-78-1Benzeneacetaldehyde2-Phenylethanalalpha-TolualdehydePhenylethanalPhenylacetic aldehydealpha-Toluic aldehydeOxophenylethaneAcetaldehyde, phenyl-Benzylcarboxaldehyde
Weitere Namen anzeigen
HyacinthinFEMA 2874phenylacetadehydeBenzenacetaldehydeα-Tolualdehydeα-tolyaldehyde
1-Oxo-2-phenylethanePhenacetaldehydealpha-PhenylacetaldehydeFEMA No. 2974DTXSID3021483U8J5PLW9MRNSC-406309DTXCID501483

Datenbank-Bezeichner

CAS
122-78-1
PubChem CID
998
DTXSID
DTXSID3021483
ChEMBL
CHEMBL1233464
ChEBI
CHEBI:16424
UNII
U8J5PLW9MR
EC Number
204-574-5
Nikkaji
J2.494E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,8
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
2
Schwere Atome
9

Physikochemische Eigenschaften

Schmelzpunkt
10 °C · −10 °C(lit.)
Siedepunkt
195 °C · 195 °C
Dichte
1.079 g/mL · 1.079 g/mL at 20 °C
Dampfdruck
2.09 hPa · 2.09hPa at 20℃
FEMA
2874 · 2874 | PHENYLACETALDEHYDE
Brechungsindex
20 · n20/D 1.535(lit.)

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk
2
tsca
TSCA listed
ridadr
UN 1170 3/PG 2
hs_code
29122990
RTECS-Nr.
CY1420000
risk_code
22-36/37/38-43-11

Chemie und Industrie

Anwendungen · 3 Einträge

BeschreibungPhenylacetaldehyde is an organic compound which can be naturally found in buckwheat, flowers, and communication pheromones from various insect orders. It is commonly used for the preparation of fragrance as well as flavors, and applied in flavored cigarettes and beverages because of its honey-like sweet character. It is also applied in the synthesis of polymers, such as polyesters, as a rate controlling additive in polymerization reactions and used in the preparation of more complex chemicals like resmethrin, where it acts as a building block.

OccurrenceIdentified among the constituents of several essential oils: neroli, Citrus sinensis leaves, other citrus species (flowers and leaves), narcissus, magnolia, lily, rose and tea. It is reported found in over 170 natural products including apricot, sour cherry, cooked apple, peach, fresh blackberry, crispbread, other types of bread, green tea, unprocessed rice, lemon balm, red sage, black currant, bilberry, cranberry, other berries, grapes, raisins, melon, papaya, guava fruit, pineapple, asparagus, celery leaves, carrot, parsley, peas, bell pepper, sweet pepper, peach, cabbage, peppermint oil, Scotch spearmint oil, mustard, vinegar, onion, cooked potato, tomato, cinnamon bark, cassia leaf, ginger, many cheeses, milk, yogurt, boiled egg, cooked and cured meats, beer, cognac, grape wines, cocoa, coffee, tea, roasted filbert, roasted peanut, soybean, pecans, cauliflower, broccoli, honey, avocado, passion fruit, beans, mushrooms, trassi, mango, tamarind, rice, licorice, buckwheat, lovage root, pumpkin, sweet potato, cassava, corn oil, malt, wort, dried bonito, loquat, pawpaw, maté, sweet grass oil, orange peel oil, grapefruit juice, endive, clam and Chinese quince.

VerwendenPhenylacetaldehyde is used for the preparation of fragrances and polymers like polyesters, which find application as a rate controlling additive in polymerization reactions. It is an active component of fragrances and floral scent due to its honey-like sweet character and finds application in flavored cigarettes and beverages. It is an insect attractant and utilized in blacklight trap for pests. It is also used as a building block in the synthesis of more complex chemicals, such as resmethrin. Furthermore, it is used in association with acetic anhydride and allyltrimethylsilane in three-component coupling process catalyzed by LiBF4 providing homoallylic acetates.

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梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: Phenylacetaldehyde is an aldehyde that consists of acetaldehyde bearing a methyl substituent; the parent member of the phenylacetaldehyde class of compounds. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is an alpha-CH2-containing aldehyde and a member of phenylacetaldehydes.

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