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MilliporeSigma

61848

Supelco

Isovaleraldehyde

analytical standard

Synonym(s):

3-Methylbutanal, 3-Methylbutyraldehyde, NSC 404119

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About This Item

Linear Formula:
(CH3)2CHCH2CHO
CAS Number:
590-86-3
Molecular Weight:
86.13
Beilstein/REAXYS Number:
773692
EC Number:
209-691-5
MDL number:
MFCD00007014
UNSPSC Code:
85151701
PubChem Substance ID:
329759691
NACRES:
NA.24

Key Documents

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grade

analytical standard

Quality Level

100

vapor density

2.96 (vs air)

vapor pressure

30 mmHg ( 20 °C)

assay

≥93.5% (GC)

autoignition temp.

464 °F

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

impurities

≤1% isovaleric acid

refractive index

n20/D 1.388 (lit.)

bp

90 °C (lit.)

density

0.803 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

format

neat

organoleptic

pungent

storage temp.

2-8°C

SMILES string

[H]C(=O)CC(C)C

InChI

1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3

InChI key

YGHRJJRRZDOVPD-UHFFFAOYSA-N

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Application

Isovaleraldehyde may be used as a reference chemical standard for the analysis of microbial volatile organic compounds from isolates of Aspergillus flavus using solid phase microextraction (SPME) combined with gas chromatography-mass spectrometry.
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Danger

Hazard Classifications

Aquatic Chronic 2 - Eye Irrit. 2 - Flam. Liq. 2 - Skin Sens. 1 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 2

flash_point_f

32.9 °F - closed cup

flash_point_c

0.5 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
BCCC5076
BCBZ2909
BCBZ7930
BCBV7556
BCBT2471

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Monitoring MVOC profiles over time from isolates of Aspergillus flavus using SPME GC-MS.
Sun D, et al.
Journal of Agricultural Chemistry and Environment, 3(02), 48-48 (2014)
Paweł Mochalski et al.
Cell biochemistry and biophysics, 71(1), 323-329 (2014-08-16)
Gas chromatography with mass spectrometric detection combined with head-space needle trap extraction as the pre-concentration technique was applied to identify and quantify volatile organic compounds released or metabolised by human umbilical vein endothelial cells. Amongst the consumed species there were

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