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Quality Level
assay
97%
refractive index
n20/D 1.4460 (lit.)
bp
85-87 °C/10 mmHg (lit.)
density
0.843 g/mL at 25 °C (lit.)
functional group
hydroxyl
SMILES string
[H]\C(CO)=C(\[H])CCCCC
InChI
1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6+
InChI key
AYQPVPFZWIQERS-VOTSOKGWSA-N
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Related Categories
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk_germany
WGK 3
flash_point_f
198.0 °F - closed cup
flash_point_c
92.2 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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Journal of agricultural and food chemistry, 63(11), 2877-2885 (2015-02-24)
An optimized method for the quantitation of volatile compounds responsible for off-aromas, such as earthy odors, found in wine and grapes was developed. The method involved a fast and simple headspace solid-phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC-MS) for simultaneous determination of
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