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Nonyl benzoate is an organic compound with the chemical formula C16H22O2, consisting of a benzoic acid molecule esterified with a nonyl alcohol chain. It is a colorless to pale yellow liquid with a mild, pleasant odor and is commonly used as a fragrance ingredient in various personal care products, such as perfumes, soaps, and lotions. Nonyl benzoate is also employed as a plasticizer in the manufacturing of plastics and as a solvent in the paint and coating industry. It is considered to be relatively non-toxic and non-irritating, but like many chemicals, it should be handled with care to avoid potential health risks.

5451-95-6

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5451-95-6 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5451-95-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,4,5 and 1 respectively; the second part has 2 digits, 9 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 5451-95:
(6*5)+(5*4)+(4*5)+(3*1)+(2*9)+(1*5)=96
96 % 10 = 6
So 5451-95-6 is a valid CAS Registry Number.
InChI:InChI=1/C16H24O2/c1-2-3-4-5-6-7-11-14-18-16(17)15-12-9-8-10-13-15/h8-10,12-13H,2-7,11,14H2,1H3

5451-95-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name nonyl benzoate

1.2 Other means of identification

Product number -
Other names Benzoic acid,nonylester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
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:5451-95-6 SDS

5451-95-6Downstream Products

5451-95-6Relevant academic research and scientific papers

LiHMDS: Facile, highly efficient and metal-free transesterification under solvent-free condition

Gore, Kiran R.,Mittapelli, Lavanya L.

, (2020/10/27)

Transesterification is one of the important organic reactions employed in numerous industrial as well as laboratory applications for the synthesis of various esters. Herein, we report a rapid, highly efficient, and transition metal-free transesterification reaction in the presence of LiHMDS under solvent-free conditions. The transesterification reaction was carried out with three different benzoate esters and a wide range of primary and secondary alcohols (from C3-C18) in good to excellent yields (45 examples). By considering the commercial role of esters, this method will be promising for the facile synthesis of esters in industry-relevant applications.

Metal-free transesterification catalyzed by tetramethylammonium methyl carbonate

Hatano, Manabu,Tabata, Yuji,Yoshida, Yurika,Toh, Kohei,Yamashita, Kenji,Ogura, Yoshihiro,Ishihara, Kazuaki

supporting information, p. 1193 - 1198 (2018/03/27)

Environmentally benign metal-free tetramethylammonium methyl carbonate is effective as a catalyst for the chemoselective, scalable, and reusable transesterification of various esters and alcohols in common organic solvents. In situ-generated highly active species, tetramethylammonium alkoxides, can greatly avoid self-decomposition at ≤110 °C, and are reusable. In particular, chelating substrates, such as amino alcohols, diols, triols, sugar derivatives, alkaloids, α-amino acid esters, etc., which deactivate conventional metal salt catalysts, can be used. A 100 gram scale biodiesel production was also demonstrated.

Direct macrolactonization of seco acids via hafnium(IV) catalysis

De Léséleuc, Mylene,Collins, Shawn K.

, p. 1462 - 1467 (2015/03/14)

Efficient direct macrolactonization of seco acids can be catalyzed by Hf(OTf)4 in high yields, forming water as the sole byproduct. The Hf(OTf)4 catalyst possesses unique reactivity characteristics relative to other Lewis acids, as it promotes macrolactonization over hydrolysis even in the presence of excess water. In addition to forming a variety of macrolactones and benzolactones (55-90%), intermolecular direct esterifications of carboxylic acids and alcohols were also possible and demonstrated compatibility with common carbamate, silyl ether, alkoxymethyl ether, and acetal protecting groups. All of the macrolactonization and esterification processes developed are operationally simple, "one-pot" reactions that exploit a commercially available catalyst without the need for slow addition or azeotropic techniques.

Organocatalytic selective benzoylation of alcohols with trichloromethyl phenyl ketone: Inverse selectivity in benzoylation of alcohols containing phenol or aromatic amine functionality

Ram, Ram N.,Soni, Vineet Kumar,Gupta, Dharmendra Kumar

, p. 9068 - 9075 (2012/11/07)

Trichloromethyl phenyl ketone benzoylates primary and secondary aliphatic alcoholic groups in compounds also containing a phenolic group in the presence of 2-10 mol % of PMDETA organocatalyst at room temperature in high yields and excellent selectivity. It also shows the potential to selectively benzoylate primary alcoholic groups of aminoarylalkanols and primary-secondary diols as well as primary amino group of alkyl amines in the presence of aryl amines under similar conditions. A rationale for the selectivity and efficiency of the reaction has been provided.

Molecular design of antifungal agents

Kubo, Isao,Xiao, Ping,Nihei, Ken-Ichi,Fujita, Ken-Ichi,Yamagiwa, Yoshiro,Kamikawa, Tadao

, p. 3992 - 3998 (2007/10/03)

In a rational approach to the design of antifungal agents against Saccharomyces cerevisiae, a series of alkyl gallates (3,4,5-trihydroxybenzoates) were synthesized and assayed. Nonyl gallate (1) was found to be the most effective with a minimum fungicidal concentration (MFC) of 12.5 μg/mL (42 μM), followed by octyl gallate (2) with an MFC of 25 μg/mL (89 μM). These MFCs are little influenced by pH values. A time-kill curve study indicates that nonyl gallate exhibits fungicidal activity against S. cerevisiae at any growing stage. The antifungal activity of nonyl gallate is due primarily to its ability to act as a nonionic surface-active agent (surfactant). The length of the alkyl group is not a major contributor but plays a role in eliciting the activity to a large extent. As far as alkyl gallates are concerned, their antimicrobial spectra and potency depend largely on the hydrophobic portion of the molecules.

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