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Butan-2-yl octanoate, also known as sec-butyl octanoate or 2-butyl octanoate, is an organic ester compound with the chemical formula C12H24O2. It is derived from the reaction of sec-butanol (2-butanol) and octanoic acid (caprylic acid). This colorless liquid is widely used in the fragrance and flavor industry due to its pleasant, fruity, and slightly floral scent, often reminiscent of apples and pears. Butan-2-yl octanoate is also found in various natural sources, such as fruits and essential oils, and is considered a safe and effective ingredient in cosmetics, perfumes, and food products.

5458-61-7

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5458-61-7 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5458-61-7 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 8 respectively; the second part has 2 digits, 6 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 5458-61:
(6*5)+(5*4)+(4*5)+(3*8)+(2*6)+(1*1)=107
107 % 10 = 7
So 5458-61-7 is a valid CAS Registry Number.
InChI:InChI=1/C12H24O2/c1-4-6-7-8-9-10-12(13)14-11(3)5-2/h11H,4-10H2,1-3H3

5458-61-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name butan-2-yl octanoate

1.2 Other means of identification

Product number -
Other names octanoic acid sec-butyl ester

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:5458-61-7 SDS

5458-61-7Downstream Products

5458-61-7Relevant academic research and scientific papers

Application of Sulfonic Acid Functionalised Hybrid Silicas Obtained by Oxidative Cleavage of Tetrasulfide Bridges as Catalysts in Esterification Reactions

Lopez, Maria Isabel,Esquivel, Dolores,Jimenez-Sanchidrian, Cesar,Romero-Salguero, Francisco Jose

, p. 1002 - 1010 (2013/05/09)

Hybrid materials with tetrasulfide bridges were synthesised by co-condensation between bis[3-(triethoxysilyl)propyl]tetrasulfide and either tetraethyl orthosilicate or 1,4-bis(triethoxysilyl)benzene under acidic conditions in the presence of Brij-76 as a structure-directing agent. They were post-modified by treatment with H2O2 for 3h or 24h. A progressive loss of the mesostructure in the resulting materials was observed upon increasing the S content in the synthesis mixtures. Thus, only those samples with the lowest tetrasulfide content could be considered as periodic mesoporous organosilicas. This effect was even more pronounced upon oxidation. The oxidised materials exhibited a considerable acidity, particularly those with the two precursors in approximately equal amounts. All sulfonic acid functionalised materials were used as catalysts in the esterification of acetic acid with ethanol, and they exhibited a comparable or very similar activity to that of Amberlyst-15. Several mesoporous and microporous hybrid materials were selected and compared to this commercial resin in the transformation of more hydrophobic substrates. Some of these hybrid materials were especially attractive for the transformation of benzyl alcohol and various secondary alcohols.

Solvent-free esterification catalyzed by surfactant-combined catalysts at room temperature

Gang, Li,Xinzong, Li,Eli, Wumanjiang

, p. 348 - 351 (2008/02/10)

Solvent-free esterifications of various carboxylic acids and alcohols can be catalyzed by surfactant-combined catalysts dodecylbenzene sulfonic acid (DBSA) and copper dodecylbenzene sulfonate (CDBS) in moderate to excellent yield at room temperature. The esterification method has two notable advantages: first, there is no need for any solvent, even water, and secondly, no need for energy, the reaction can proceed smoothly at room temperature. The Royal Society of Chemistry and the Centre National de la Recherche Scientifique.

A convenient one-step method for the deprotection and esterification of triphenylmethyl ethers

Bergmeier, Stephen C.,Arason, Kristján M.

, p. 5799 - 5802 (2007/10/03)

We have discovered a simple one-pot procedure to convert trityl ethers into esters, using the corresponding acid chloride as the only reagent. (C) 2000 Elsevier Science Ltd.

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