W221902
Butyraldehyde
≥96.0%
Synonym(s):
Butanal
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About This Item
Linear Formula:
CH3CH2CH2CHO
CAS Number:
Molecular Weight:
72.11
FEMA Number:
2219
Council of Europe no.:
91
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
5.003
EC Number:
204-646-6
NACRES:
NA.21
MDL number:
Beilstein/REAXYS Number:
506061
Organoleptic:
cocoa; green; musty; pungent
Grade:
Kosher
Biological source:
synthetic
Food allergen:
no known allergens
biological source
synthetic
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
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.
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signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2
Storage Class
3 - Flammable liquids
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
flash_point_f
12.2 °F - closed cup
flash_point_c
-11 °C - closed cup
Regulatory Information
危险化学品
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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
Global Trade Item Number
| SKU | GTIN |
|---|---|
| W221902-1KG-K | 04061837845550 |
| W221902-20KG-K | 04061837845567 |
| W221902-4KG-K | 04061837845574 |
| W221902-SAMPLE-K | 04061837508851 |