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W221902

Sigma-Aldrich

Butyraldehyde

≥96.0%

Synonym(s):

Butanal

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About This Item

Linear Formula:
CH3CH2CH2CHO
CAS Number:
123-72-8
Molecular Weight:
72.11
FEMA Number:
2219
Beilstein:
506061
EC Number:
204-646-6
Council of Europe no.:
91
MDL number:
MFCD00007023
UNSPSC Code:
12164502
PubChem Substance ID:
24900930
Flavis number:
5.003
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

Kosher

reg. compliance

FDA 21 CFR 117

vapor density

2.5 (vs air)

vapor pressure

90 mmHg ( 20 °C)

Assay

≥96.0%

autoignition temp.

390 °F

expl. lim.

12.5 %

refractive index

n20/D 1.380 (lit.)

bp

75 °C (lit.)

mp

−96 °C (lit.)

density

0.8 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

cocoa; green; musty; pungent

storage temp.

2-8°C

SMILES string

[H]C(=O)CCC

InChI

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

InChI key

ZTQSAGDEMFDKMZ-UHFFFAOYSA-N

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Related Categories

Biochem/physiol Actions

Taste at 10 ppm

Other Notes

Natural occurrence: Apple, pear, carrot, white bread, beer, cooked rice.

Disclaimer

For R&D or non-EU Food use. Not for retail sale.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H319

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

<50.0 °F - Pensky-Martens closed cup

Flash Point(C)

< 10 °C - Pensky-Martens closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 44(8), 1223-1227 (2006-03-17)
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Daniel Norberg et al.
Journal of computational chemistry, 29(3), 392-406 (2007-07-04)
The stepwise and concerted pathways for the McLafferty rearrangement of the radical cations of butanal (Bu(+)) and 3-fluorobutanal (3F-Bu(+)) are investigated with density functional theory (DFT) and ab initio methods in conjunction with the 6-311+G(d,p) basis set. A concerted transition
Zhifeng Huang et al.
PloS one, 6(6), e20669-e20669 (2011-06-16)
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Yiannis C Fiamegos et al.
Analytica chimica acta, 609(2), 175-183 (2008-02-12)
A suitable method for the gas chromatographic determination of 10 characteristic carbonyls in biological and oil samples based on the in-drop formation of hydrazones by using 2,4,6-trichlorophenylhydrazine (TCPH), has been developed. The derivatisation-extraction procedure was optimized separately for aqueous and
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