페닐 아세트알데히드

Phenylacetaldehyde

HCID 998CAS 122-78-1

기본 정보

표준 SMILES
O=CCc1ccccc1
InChIKey
DTUQWGWMVIHBKE-UHFFFAOYSA-N
분자식
C8H8O
평균 분자량
120.15 g/mol
단동위원소 질량
120.05751487

이름 및 식별자

우선 이름
Phenylacetaldehyde
IUPAC
2-phenylacetaldehyde
현지명
페닐 아세트알데히드
영어명
Phenylacetaldehyde
분자식
C8H8O
분자량
120.15

이름 및 동의어

phenylacetaldehyde2-phenylacetaldehyde122-78-1Benzeneacetaldehyde2-Phenylethanalalpha-TolualdehydePhenylethanalPhenylacetic aldehydealpha-Toluic aldehydeOxophenylethaneAcetaldehyde, phenyl-Benzylcarboxaldehyde
이름 더 보기
α-톨루익알데히드α-톨루알데히드페닐아세트알데히드페닐아세트알데하이드HyacinthinFEMA 2874phenylacetadehydeBenzenacetaldehydeα-Tolualdehydeα-tolyaldehyde
1-Oxo-2-phenylethanePhenacetaldehydealpha-PhenylacetaldehydeFEMA No. 2974DTXSID3021483U8J5PLW9MRNSC-406309DTXCID501483

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
1.8
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
9

물리화학적 성질

녹는점
10 °C · −10 °C(lit.)
끓는 점
195 °C · 195 °C
밀도
1.079 g/mL · 1.079 g/mL at 20 °C
증기압
2.09 hPa · 2.09hPa at 20℃
FEMA
2874 · 2874 | PHENYLACETALDEHYDE
굴절률
20 · n20/D 1.535(lit.)
화학적 성질 · 1건

Phenylacetaldehyde has a harsh, green odor reminiscent of hyacinth on dilution. It has an unpleasant, pungent, bitter flavor, turning sweet and fruit-like at low levels. Since it readily undergoes oxidation and polymerizes, it must be stabilized by addition of antioxidants and by dilution with, for example, diethyl phthalate before use in compositions.

안전 및 규제

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
CY1420000
ridadr
UN 1170 3/PG 2
독성
LD50 orl-rat: 1550 mg/kg FCTXAV 17,377,79
HS 번호
29122990

화학 및 산업

응용 분야 · 4건

개요Phenylacetaldehyde 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.

출처Identified 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.

용도Phenylacetaldehyde 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.

일반 설명Phenylacetaldehyde is an important aroma volatile found in tomato and roses. It has also been identified in potato, roasted cocoa beans and honey. Phenylacetaldehyde is also a potent moth attractant.

제조 방법 · 1건

생산 방법The most important method industrially is the isomerization of styrene oxide. Ion-exchange resins, catalysis by chromium trioxide–tungsten trioxide on graphite or silicon dioxide–aluminum trioxide, and thermolysis are recommended for the rearrangement. Phenylacetaldehyde can also be synthesized by the direct oxidation of styrene in the presence of palladium salts and copper(II) chloride in aqueous solutions of glycol ethers. Other possibilities include the catalytic dehydrogenation of 2-phenylethanol on silver or gold catalysts, the hydroformylation of benzyl halides in the presence of dicobalt octacarbonyl and sodium carbonate in acetonitrile, and the Darzens glycide ester synthesis from benzaldehyde and alkyl chloroacetates.

공급사50 곳

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]
추가 설명 · 1건

정의ChEBI: 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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