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W221910

Sigma-Aldrich

Butyraldehyde

natural, FG

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/REAXYS Number:
506061
EC Number:
204-646-6
Council of Europe no.:
91
MDL number:
MFCD00007023
UNSPSC Code:
12164502
PubChem Substance ID:
24900931
Flavis number:
5.003
NACRES:
NA.21

grade

FG
Fragrance grade
Halal
Kosher
natural

Quality Level

400

agency

follows IFRA guidelines

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 172.515

vapor density

2.5 (vs air)

vapor pressure

90 mmHg ( 20 °C)

assay

95%

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

fragrance 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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Other Notes

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

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

hcodes

H225,H319

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk_germany

WGK 1

flash_point_f

<50.0 °F - Pensky-Martens closed cup

flash_point_c

< 10 °C - Pensky-Martens closed cup

ppe

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

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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The underlying mechanisms and effector molecules involved in mediating in utero smoke exposure-induced effects on the developing lung are only beginning to be understood. However, the effects of a newly discovered category of smoke, i.e., thirdhand smoke (THS), on the
N Gregory et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 44(8), 1223-1227 (2006-03-17)
Bovine soles and shavings from the heel were used in laboratory tests that examined the softening and swelling effects of rainwater, cow slurry (faeces plus urine), urine, silage effluent, and washings from recently laid concrete. Formalin, glutaraldehyde and butyraldehyde were
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
Soo-Bok Lee et al.
Bioscience, biotechnology, and biochemistry, 68(1), 36-43 (2004-01-28)
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