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Merck

75563

Ethyl butyrate

analytical standard

Synonym(s):

Butyric acid ethyl ester

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About This Item

Linear Formula:
CH3CH2CH2C(O)OC2H5
CAS Number:
105-54-4
Molecular Weight:
116.16
UNSPSC Code:
85151701
NACRES:
NA.24
PubChem Substance ID:
329766522
EC Number:
203-306-4
Beilstein/REAXYS Number:
506331
MDL number:
MFCD00009394

Key Documents

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InChI key

OBNCKNCVKJNDBV-UHFFFAOYSA-N

InChI

1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3

SMILES string

CCCC(=O)OCC

grade

analytical standard

vapor density

4 (vs air)

vapor pressure

15.5 mmHg ( 25 °C)

assay

≥99.5% (GC)

autoignition temp.

865 °F

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

refractive index

n20/D 1.392 (lit.), n20/D 1.393

bp

120 °C (lit.)

mp

−93 °C (lit.)

density

0.875 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

format

neat

Quality Level

200

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General description

Ethyl butyrate belongs to the class of esters and is generally employed as a flavor enhancer in commercial food products.

Application

Ethyl butyrate may be used as an analytical reference standard for the quantification of the analyte in orange essence oil samples and has been used as a reference standard for the determination of the analyte in dry and sweet white wines using different chromatography techniques.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

pictograms

Flame
GHS02

signalword

Warning

hcodes

H226

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

78.8 °F - closed cup

flash_point_c

26 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Group 4: Flammable liquids + Type 2 petroleums + Hazardous rank III + Water insoluble liquid

fsl

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

75563-VAR: + 75563-BULK: + 75563-1ML: + 75563-5ML:

jan

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Certificates of Analysis (COA)

Lot/Batch Number
BCCG5170
BCCC8033
BCBX5239
BCBT6575

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Determination of esters in dry and sweet white wines by headspace solid-phase microextraction and gas chromatography
Rodriguez-Bencomo JJ, et al.
Journal of Chromatography A, 963(1-2), 213-223 (2002)
Citrus Essential Oils: Flavor and Fragrance (2011)
Identification of aroma active compounds in orange essence oil using gas chromatography?olfactometry and gas chromatography?mass spectrometry
Hognadottir A and Rouseff.LR
Journal of Chromatography A, 998(1-2), 201-211 (2003)
D Labbe et al.
Chemical senses, 32(3), 205-214 (2006-11-03)
The impact of olfactory perception on sweetness was explored in a model solution using odorants at subthreshold concentrations. First, the impact of 6 odorants, previously described in the literature as congruent with sweetness, was investigated at suprathreshold level in a
Andres Garcia et al.
Advanced materials (Deerfield Beach, Fla.), 24(39), 5368-5373 (2012-08-14)
The influence of protonation reactions between poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) and a thiadiazolo[3,4-c]pyridine small-molecule donor are reported; these result in poor solar-cell performance due to a barrier for charge extraction. The use of a NiO(x) contact eliminates such deleterious chemical interactions and
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