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6789-88-4

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6789-88-4 Usage

Description

Hexyl benzoate has a woody-green, piney balsamic odor. Hexyl benzoate may be synthesized by esterification of n-hexanol with benzoic acid under azeotropic conditions.

Chemical Properties

Different sources of media describe the Chemical Properties of 6789-88-4 differently. You can refer to the following data:
1. Hexyl benzoate has a woody-green, piney, balsamic odor
2. Hexyl Benzoate is a liquid with a balsamic, green, melon-like odor. It is used in perfumery.

Occurrence

Reported found in lingonberry, peach, apricot, Parmesan cheese, butter, black tea, yellow passion fruit, sopadilla fruit (Achras sapota L.) and Roman chamomile oil.

Uses

Hexyl benzoate is used as a fragrance for soaps, perfumes, and creams.

Preparation

By esterification of n-hexanol with benzoic acid under azeotropic conditions

General Description

Clear colorless liquid.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

Hexyl benzoate is 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.

Fire Hazard

Hexyl benzoate is probably combustible.

Flammability and Explosibility

Nonflammable

Check Digit Verification of cas no

The CAS Registry Mumber 6789-88-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,7,8 and 9 respectively; the second part has 2 digits, 8 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 6789-88:
(6*6)+(5*7)+(4*8)+(3*9)+(2*8)+(1*8)=154
154 % 10 = 4
So 6789-88-4 is a valid CAS Registry Number.
InChI:InChI=1/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3

6789-88-4 Well-known Company Product Price

  • Brand
  • (Code)Product description
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  • Alfa Aesar

  • (L06293)  n-Hexyl benzoate, 98+%   

  • 6789-88-4

  • 25g

  • 177.0CNY

  • Detail
  • Alfa Aesar

  • (L06293)  n-Hexyl benzoate, 98+%   

  • 6789-88-4

  • 100g

  • 566.0CNY

  • Detail

6789-88-4Relevant articles and documents

NaOTs-promoted transition metal-free C-N bond cleavage to form C-X (X = N, O, S) bonds

Chen, Wei,Liu, Sicheng,Liu, Tingting,Majeed, Irfan,Ye, Xiaojing,Zeng, Zhuo,Zhang, Yuqi,Zhu, Yulin

supporting information, p. 8566 - 8571 (2021/10/20)

Multifunctional transformation of amide C-N bond cleavage is reported. The protocol applies to benzamide, thioamide, alcohols, and mercaptan under similar reaction conditions catalyzed by NaOTs. It is noteworthy that NaOTs can not only be recycled and reused for up to three cycles without significant loss in catalytic activity, but also catalyze gram-grade reactions. This study provides a novel solution with mild conditions and a simple procedure for transformation of multiple amides.

N-Heterocyclic Carbene Catalyzed Ester Synthesis from Organic Halides through Incorporation of Oxygen Atoms from Air

Tan, Hui,Wang, Shen-An,Yan, Zixi,Liu, Jianzhong,Wei, Jialiang,Song, Song,Jiao, Ning

supporting information, p. 2140 - 2144 (2020/12/01)

Oxygenation reactions with molecular oxygen (O2) as the oxygen source provides a green and straightforward strategy for the construction of O-containing compounds. Demonstrated here is a novel N-heterocyclic carbene (NHC) catalyzed oxidative transformation of simple and readily available organic halides into valuable esters through the incorporation of O-atoms from O2. Mechanistic studies prove that the deoxy Breslow intermediate generated in situ is oxidized to a Breslow intermediate for further transformation by this oxidative protocol. This method broadens the field of NHC catalysis and promotes oxygenation reactions with O2.

Zr-MOF-808 as Catalyst for Amide Esterification

Villoria-del-álamo, Beatriz,Rojas-Buzo, Sergio,García-García, Pilar,Corma, Avelino

supporting information, p. 4588 - 4598 (2020/12/25)

In this work, zirconium-based metal–organic framework Zr-MOF-808-P has been found to be an efficient and versatile catalyst for amide esterification. Comparing with previously reported homogeneous and heterogeneous catalysts, Zr-MOF-808-P can promote the reaction for a wide range of primary, secondary and tertiary amides with n-butanol as nucleophilic agent. Different alcohols have been employed in amide esterification with quantitative yields. Moreover, the catalyst acts as a heterogeneous catalyst and could be reused for at least five consecutive cycles. The amide esterification mechanism has been studied on the Zr-MOF-808 at molecular level by in situ FTIR spectroscopic technique and kinetic study.

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