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About This Item
Linear Formula:
(CH3)2CHCOC2H5
CAS Number:
Molecular Weight:
100.16
EC Number:
209-288-4
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
1698849
MDL number:
grade
purum
assay
≥99.0% (GC)
refractive index
n20/D 1.397 (lit.), n20/D 1.398
bp
113 °C (lit.)
density
0.811 g/mL at 25 °C (lit.)
SMILES string
CCC(=O)C(C)C
InChI
1S/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3
InChI key
HYTRYEXINDDXJK-UHFFFAOYSA-N
signalword
Danger
hcodes
pcodes
Hazard Classifications
Flam. Liq. 2
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
51.8 °F - closed cup
flash_point_c
11 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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Volatile organic compounds from feces and their potential for diagnosis of gastrointestinal disease.
Catherine E Garner et al.
FASEB journal : official publication of the Federation of American Societies for Experimental Biology, 21(8), 1675-1688 (2007-02-23)
Little is known about the volatile organic compounds (VOCs) in feces and their potential health consequences. Patients and healthcare professionals have observed that feces often smell abnormal during gastrointestinal disease. The aim of this work was to define the volatiles
Profile of volatile metabolites in human urine.
A Zlatkis et al.
Clinical chemistry, 17(7), 592-594 (1971-07-01)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 142859-5G | 04061838734501 |
| 142859-25G | 04061838118004 |
| 00922-10X1ML | 04022536000589 |
| 00922-1ML | 04022536000749 |
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