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Cinnamic acid, also known as 3-phenylpropenoic acid, is an aromatic organic compound that belongs to the family of cinnamic acids. It is a white to pale yellow crystalline solid with a sweet, creamy, and herbal fragrance, along with a slightly burnt taste. Cinnamic acid is a eukaryotic metabolite found in various plant sources, such as tonka beans and sweet clover.

119-84-6

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119-84-6 Hazards Identification

Pictogram(s):

Signal:

Warning

GHS Hazard Statements:

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H317 (97.44%): May cause an allergic skin reaction [Warning Sensitization, Skin]

Precautionary Statement Codes:

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P313, P362+P364, and P501

Hazard Classes and Categories:

Acute Tox. 4 (100%)
Skin Sens. 1 (97.44%)
Acute toxicity - category 4
Skin sensitisation - category 1

Hazards Summary:

Emergency treatment: Coumarin; After an ingestion of 4 grams of coumarin, a patient developed muscle paralysis but no cardiovascular effects; Has liver toxicity in rats, but humans are relatively resistant; Not active as an anti-coagulant; [HSDB] Safe when used as a flavoring agent in food; [JECFA] A tumorigen and irritant; Caused somnolence in lethal-dose feeding studies of rats; [RTECS] A skin, eye, and mucous membrane irritant; [CAMEO] An irritant; [MSDSonline] See Coumarin.

119-84-6 Usage

Uses

Used in Flavoring and Fragrance Industry:
Cinnamic acid is used as a flavoring agent in the food, tobacco, soap, and perfume industries. Its exotic flavor is well suited for caramel, nuts, dairy, vanilla, tropical fruit, and alcohol. It adds a unique and pleasant aroma to these products, enhancing their overall sensory experience.
Used in Pharmaceutical Industry:
Cinnamic acid serves as a pharmaceutical intermediary, playing a crucial role in the synthesis of various drugs and medications. Its chemical properties make it a valuable building block for the development of new pharmaceutical compounds.
Used in Analytical Chemistry:
Cinnamic acid can be used as an analytical reference standard for the determination of the analyte in various plant extracts and pharmaceutical preparations. Chromatography-based techniques and capillary electrophoresis are commonly employed for this purpose, allowing for accurate and reliable analysis.
Used in Organic Synthesis:
Cinnamic acid is a versatile compound in organic synthesis, as it can be easily converted into a wide range of other organic compounds. Its reactivity and functional groups make it a valuable starting material for the synthesis of various organic molecules, including pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Research and Development:
Cinnamic acid is also used in research and development, particularly in the study of epigenetic processes in human cells. It has been shown to influence these processes in vitro, providing valuable insights into the underlying mechanisms and potential applications in the field of epigenetics.

Sources

http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16151 http://www.bojensen.net/EssentialOilsEng/EssentialOils29/EssentialOils29.htm#Tonka https://books.google.kg/books?id=pUEqBgAAQBAJ&pg=PA427&lpg=PA427&dq=dihydrocoumarin+uses&source=bl&ots=HTZrffvsXu&sig=GPGKqrMRXQaRJ-qgHk7aULeBmGw&hl=en&sa=X&redir_esc=y#v=onepage&q=dihydrocoumarin%20uses&f=false https://products.symrise.com/aroma-molecules/product-search/dihydrocoumarin/action/pdf/ http://www.lookchem.com/3-4-Dihydrocoumarin/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1315280/

Preparation

Dihydrocoumarin is synthesized by reduction of coumarin under pressure in the presence of nickel at 160 to 200°C or in the presence of Pd-BaSO4 in alcoholic solution.

Synthesis Reference(s)

Tetrahedron Letters, 37, p. 4555, 1996 DOI: 10.1016/0040-4039(96)00902-1

Air & Water Reactions

Solutions of the chemical in water are stable for less than two hours. Insoluble in water.

Reactivity Profile

Hydrocoumarin is a lactone (behaves as an ester). Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. Hydrocoumarin may hydrolyze under alkaline or acidic conditions.

Fire Hazard

Hydrocoumarin is combustible.

Biochem/physiol Actions

Taste at 10 ppm

Check Digit Verification of cas no

The CAS Registry Mumber 119-84-6 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,1 and 9 respectively; the second part has 2 digits, 8 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 119-84:
(5*1)+(4*1)+(3*9)+(2*8)+(1*4)=56
56 % 10 = 6
So 119-84-6 is a valid CAS Registry Number.
InChI:InChI=1/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2

119-84-6 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
  • Price
  • Detail
  • Alfa Aesar

  • (B21229)  Dihydrocoumarin, 99%   

  • 119-84-6

  • 100g

  • 303.0CNY

  • Detail
  • Alfa Aesar

  • (B21229)  Dihydrocoumarin, 99%   

  • 119-84-6

  • 500g

  • 1153.0CNY

  • Detail
  • Alfa Aesar

  • (B21229)  Dihydrocoumarin, 99%   

  • 119-84-6

  • 2500g

  • 4597.0CNY

  • Detail
  • Aldrich

  • (D104809)  Dihydrocoumarin  99%

  • 119-84-6

  • D104809-5G

  • 280.80CNY

  • Detail
  • Aldrich

  • (D104809)  Dihydrocoumarin  99%

  • 119-84-6

  • D104809-100G

  • 333.45CNY

  • Detail

119-84-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name 3,4-dihydrocoumarin

1.2 Other means of identification

Product number -
Other names Dihydrocoumarin

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:119-84-6 SDS

119-84-6Related news

Enhancement of biocontrol efficacy of Cryptococcus laurentii by Cinnamic acid (cas 119-84-6) against Penicillium italicum in citrus fruit08/31/2019

Cinnamic acid was effective to control blue mold caused by Penicillium italicum in ‘Orah’ mandarins. The inhibition of fruit decay was positively correlated with cinnamic acid concentration. Cinnamic acid at 1.5 mM, in combination with the biocontrol yeast Cryptococcus laurentii at 1 × 107 ce...detailed

Research paperEvaluation of Cinnamic acid (cas 119-84-6) and six analogues against eggs and larvae of Haemonchus contortus⋆08/29/2019

This study evaluated the in vitro anthelmintic (AH) activity of cinnamic acid and six analogues against eggs and larvae of Haemonchus contortus. Stock solutions of each compound (trans-cinnamic acid, p-coumaric acid, caffeic acid, trans-ferulic acid, trans-sinapic acid, 3,4-dimethoxycinnamic aci...detailed

119-84-6Relevant academic research and scientific papers

Hydrogenation of coumarin to octahydrocoumarin over a Ru/C catalyst

Bílková, Dana,Jansa, Petr,Paterová, Iva,?erveny, Libor

, p. 957 - 960 (2015)

The production of octahydrocoumarin, which can serve as a replacement for toxic coumarin, was investigated using 5% Ru on active carbon (Ru/C) as the catalyst for the hydrogenation of coumarin. The hydrogenation was studied by optimizing the reaction conditions (pressure, solvent and coumarin concentration). The activity and selectivity of the Ru/C catalyst were compared for different solvents. The mechanism of coumarin hydrogenation was deduced. The formation of side products was explained. The optimal hydrogenation reaction conditions were: 130 °C, 10 MPa, 60 wt% coumarin in methanol, and 0.5 wt% (based on coumarin) of Ru/C catalyst. At the complete conversion of coumarin, the selectivity to the desired product was 90%.

Cerium-Catalyzed Hydrosilylation of Acrylates to Give α-Silyl Esters

Pindwal, Aradhana,Patnaik, Smita,Everett, William C.,Ellern, Arkady,Windus, Theresa L.,Sadow, Aaron D.

, p. 628 - 631 (2017)

The homoleptic organocerium complex Ce{C(SiHMe2)3}3(1) reacts with B(C6F5)3to produce the zwitterionic bis(alkyl) hydridoborato Ce{C(SiHMe2)3}2HB(C6F5)3(2). NMR and IR spectroscopy and X-ray crystallography indicate that each alkyl ligand contains two bridging Ce?H-Si interactions in both 1 and 2. Compound 2 serves as a precatalyst for the hydrosilylation of acrylates to give α-silyl esters at room temperature with a turnover number of 2200.

Bi(OTf)3-catalyzed Baeyer-Villiger oxidation of carbonyl compounds with m-CPBA

Alam, M. Mujahid,Varala, Ravi,Adapa, Srinivas R.

, p. 3035 - 3040 (2003)

An efficient method has been developed for the Baeyer-Villiger oxidation of a variety of carbonyl compounds with m-CPBA to afford the corresponding esters/lactones using bismuth triflate as catalyst. The catalyst is reused for Baeyer-Villiger oxidation without significant loss of catalytic activity for three cycles.

Synthesis of 6-, 7-, and 8-membered lactones via the nickel-catalysed electrochemical arylation of electron-deficient olefins

De Mendon?a Cavalcanti, Janesmar Camilo,Fonseca Goulart, Marilia Oliveira,Léonel, Eric,Nédélec, Jean-Yves

, p. 6343 - 6345 (2002)

A nickel-catalysed electroreductive process of arylation of α,β-unsaturated carboxylic esters has been applied to the synthesis of medium-sized lactones. Of the two possible approaches investigated in this study, the most efficient one involves first the electrochemical condensation, followed by the lactonisation.

An efficient synthesis of dihydrocoumarins

Pickett, James E.,Van Dort, Paul C.

, p. 1161 - 1164 (1992)

Dihydrocoumarins are obtained in 40 to 60% yields in one step by heating acrylic esters with an excess of a phenol in the presence of base catalysts.

Palladium nanoparticles stabilised by PTA derivatives in glycerol: Synthesis and catalysis in a green wet phase

Chahdoura, Faouzi,Favier, Isabelle,Pradel, Christian,Mallet-Ladeira, Sonia,Gómez, Montserrat

, p. 47 - 51 (2015)

Palladium nanoparticles stabilised by N-substituted 1,3,5-triaza-7-phosphaadamantane ionic ligands were synthesised from Pd(II) precursors and characterised in neat glycerol, observing an important effect of the phosphine nature in the dispersion of the nanoclusters in solution. The most homogeneously dispersed nanoparticles (Pd1a) led to the best catalytic behaviour in the benchmark Suzuki-Miyaura reaction. From this screening, Pd1a was applied in different CC cross-couplings and hydrogenation reactions, isolating the expected products in high yields (> 90%). An efficient catalyst immobilisation in glycerol was attained (up to ten runs without any sign of activity loss).

HYDROGENATION OF OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS ON GROUP VIII METALS

Karakhanov, E. A.,Dedov, A. G.,Loktev, A. S.

, p. 993 - 995 (1981)

The hydrogenation of a number of oxygen-containing heterocyclic compounds on Pt, Pd, and Rh blacks in the liquid phase at atmospheric pressure was investigated.The results are compared with data on H-D exchange with D2O and are interpreted from the point of view of the theory of ?-complex adsorption.

Heterogeneous Baeyer-Villiger oxidation of ketones using m- chloroperbenzoic acid catalyzed by hydrotalcites

Kaneda, Kiyotomi,Yamashita, Toyokazu

, p. 4555 - 4558 (1996)

Hydrotalcites promote the Baeyer-Villiger oxidation of various ketones using m-chloroperbenzoic acid to give high yields of lactones and esters.

SmI2 mediated Barbier reaction of α-fluoro ethers

Ringom, Rune,Benneche, Tore

, p. 121 - 122 (1999)

Addition of α-fluoro ethers to cyclohexanone in THF at ambient temperature has been mediated by means of SmI2.

Selective Hydrogenation of Unsaturated Carbon-Carbon Bonds in Aromatic-Containing Platform Molecules

Schwartz, Thomas J.,Lyman, Spencer D.,Motagamwala, Ali Hussain,Mellmer, Max A.,Dumesic, James A.

, p. 2047 - 2054 (2016)

The combination of chemical and biological catalysis enables the production from biomass of coumarin and dihydrocoumarin (DHC), opening new routes to the formation of fine chemicals and pharmaceutical building blocks. Each of these products requires the hydrogenation of 4-hydroxycoumarin (4HC) to 4-hydroxydihydrocoumarin (4HDHC), which, in turn, requires the reduction of an unsaturated C-C bond in the presence of an aromatic ring. Using in situ attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy, we show that reaction at 348 K over monometallic Pd catalysts leads to the partial reduction of the aromatic ring in 4HC, obtaining 93% selectivity for C=C bond hydrogenation at 82% 4HC conversion and with a low turnover frequency (TOF). Decreasing the Pd dispersion from 70% to 6% not only leads to an increase in the rate of 4HC hydrogenation, but it also leads to an increase in the rate of overhydrogenation. However, the formation of bimetallic PdAu nanoparticles inhibits the overhydrogenation reaction while also doubling the TOF to a value of 6 ks-1 for 4HDHC production. A bimetallic PdAu catalyst supported on SiO2 leads to 97% selectivity for C=C bond hydrogenation at 86% 4HC conversion, while an acidic support such as amorphous silica-alumina can be used to produce DHC directly from 4HC.

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