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Pentan-3-yl hexanoate, also known as 3-pentyl hexanoate, is an organic ester compound with the chemical formula C11H22O2. It is formed by the esterification of pentan-3-ol (3-pentanol) and hexanoic acid (caprylic acid). This colorless liquid has a fruity, apple-like odor and is commonly used in the fragrance industry as a flavoring agent and perfume ingredient. Pentan-3-yl hexanoate is also found in various natural sources, such as fruits and essential oils, contributing to their characteristic aromas. Its chemical structure consists of a five-carbon alcohol (pentan-3-ol) and a six-carbon carboxylic acid (hexanoic acid), which are linked by an ester bond. pentan-3-yl hexanoate is known for its low toxicity and is generally recognized as safe for use in food and cosmetic products.

5416-46-6

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5416-46-6 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5416-46-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,4,1 and 6 respectively; the second part has 2 digits, 4 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 5416-46:
(6*5)+(5*4)+(4*1)+(3*6)+(2*4)+(1*6)=86
86 % 10 = 6
So 5416-46-6 is a valid CAS Registry Number.

5416-46-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name pentan-3-yl hexanoate

1.2 Other means of identification

Product number -
Other names -

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

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More Details:5416-46-6 SDS

5416-46-6Downstream Products

5416-46-6Relevant academic research and scientific papers

Expanding the scope of biomass-derived chemicals through tandem reactions based on oxorhenium-catalyzed deoxydehydration

Shiramizu, Mika,Toste, F. Dean

supporting information, p. 12905 - 12909 (2014/01/06)

New modes of DODH: Oxorhenium compounds act as deoxydehydration(DODH)/acid dual-purpose catalysts to transform biomass-derived diol substrates into a variety of commodity chemical precursors. The power of this approach is highlighted by a tandem [1,3]-OH shift/DODH of 2-ene-1,4-diols and 2,4-diene-1,6-diols, and by a DODH/esterification sequence of sugar acids to unsaturated esters for the production of polymers and plasticizers. Copyright

Ruthenium pincer-catalyzed cross-dehydrogenative coupling of primary alcohols with secondary alcohols under neutral conditions

Srimani, Dipankar,Balaraman, Ekambaram,Gnanaprakasam, Boopathy,Ben-David, Yehoshoa,Milstein, David

supporting information, p. 2403 - 2406 (2012/11/07)

Cross-dehydrogenative coupling of primary alcohols with secondary alcohols to obtain mixed esters with the liberation of molecular hydrogen is achieved in high yield and good selectivity under neutral conditions, using a bipyridyl-based PNN ruthenium(II) pincer catalyst. Copyright

Ruthenium pincer-catalyzed acylation of alcohols using esters with liberation of hydrogen under neutral conditions

Gnanaprakasam, Boopathy,Ben-David, Yehoshoa,Milstein, David

supporting information; experimental part, p. 3169 - 3173 (2011/02/23)

Acylation of secondary alcohols using non-activated esters, in particular symmetrical esters (such as ethyl acetate), is achieved under neutral conditions with the liberation of molecular hydrogen. This unprecedented, environmentally benign reaction is homogenously catalyzed by a dearomatized ruthenium pincer PNN complex. Copyright

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