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Merck

94194

Butyraldehyde

analytical standard, contains ~0.1% 2,6-di-tert-butyl-4-methylphenol and ~1% water as stabilizer

Synonym(s):

Butanal

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About This Item

Linear Formula:
CH3CH2CH2CHO
CAS Number:
123-72-8
Molecular Weight:
72.11
UNSPSC Code:
85151701
NACRES:
NA.24
PubChem Substance ID:
329770311
EC Number:
204-646-6
Beilstein/REAXYS Number:
506061
MDL number:
MFCD00007023

Key Documents

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InChI key

ZTQSAGDEMFDKMZ-UHFFFAOYSA-N

InChI

1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3

SMILES string

[H]C(=O)CCC

grade

analytical standard

vapor density

2.5 (vs air)

vapor pressure

90 mmHg ( 20 °C)

assay

≥97.0% (GC)

autoignition temp.

390 °F

shelf life

limited shelf life, expiry date on the label

contains

~0.1% 2,6-di-tert-butyl-4-methylphenol and ~1% water as stabilizer

expl. lim.

12.5 %

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

refractive index

n20/D 1.377-1.387, n20/D 1.380 (lit.)

Quality Level

100

bp

75 °C (lit.)

mp

−96 °C (lit.)

density

0.8 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

format

neat

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General description

Butyraldehyde (BA) belongs to the class of volatile organic compounds (VOCs).
This substance is listed on the positive list of the EU regulation 10/2011 for plastics intended to come into contact with food. Find all available reference materials for compounds listed in 10/2011 here

Application

BA has been used as an analytical reference standard for the analysis of BA in:
  • Air samples by pentafluorophenyl hydrazine derivatization followed by analysis using gas chromatography (GC) equipped with flame ionization detector (FID).
  • Ambient air by GC coupled to mass spectrometry (MS).

It may be used as an analytical reference standard for the analysis of BA in:
  • Environmental samples by 2,4-dinitrophenylhydrazine derivatization followed by analysis using rapid resolution liquid chromatography-ultraviolet diode array detector (RRLC-UV-DAD) and RRLC coupled to ion-trap mass spectrometer (IT-MS) operating under the atmospheric pressure chemical ionization (APCI) mode.
  • Saliva samples by magnetic-stirring-assisted micro-solid-phase extraction (μ-SPE) and headspace GC combined with ion-mobility spectrometry (IMS).

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

hcodes

H225,H319

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2

Storage Class

3 - Flammable liquids

flash_point_f

12.2 °F - closed cup

flash_point_c

-11 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
BCCL4002
BCCG1402
BCCB9124
BCBZ7108
BCBW7352

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Analysis of 31 hydrazones of carbonyl compounds by RRLC-UV and RRLC-MS (/MS): a comparison of methods.
Ochs SDM, et al.
Journal of Spectroscopy (New York, NY, United States), 2015(14), 2455-2462 (2015)
Critical role of a pre-purge setup in the thermal desorption analysis of volatile organic compounds by gas chromatography with mass spectrometry.
Kim YH and Kim KH
Journal of Separation Science, 38(14), 2455-2462 (2015)
Experimental validation of an effective carbon number-based approach for the gas chromatography-mass spectrometry quantification of `compounds lacking authentic standards or surrogates?.
Kim YH, et al.
Analytica Chimica Acta, 830(, author=, 32-41 (2014)
The effect of solvent selection in the gas chromatographic analysis of carbonyls in air samples after derivatization with pentafluorophenyl hydrazine.
Ullah MA, et al.
Atmospheric Research, 166(, author=, 101-109 (2015)
Extraction of toxic compounds from saliva by magnetic-stirring-assisted micro-solid-phase extraction step followed by headspace-gas chromatography-ion mobility spectrometry.
Criado-Garcia L and Arce L
Analytical and Bioanalytical Chemistry, 408(24), 6813-6822 (2016)
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