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Key Documents

W221910

Sigma-Aldrich

Butyraldehyde

natural, FG

Synonym(s):

Butanal

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About This Item

Linear Formula:
CH3CH2CH2CHO
CAS Number:
Molecular Weight:
72.11
FEMA Number:
2219
Beilstein:
506061
EC Number:
Council of Europe no.:
91
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
5.003
NACRES:
NA.21

grade

FG
Fragrance grade
Halal
Kosher
natural

Quality Level

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

Signal Word

Danger

Hazard Statements

Precautionary Statements

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

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Certificates of Analysis (COA)

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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
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
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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
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