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Isovaleraldehyde Structure

Isovaleraldehyde

Chemical Properties

Melting point -60 °C
Boiling point 90 °C (lit.)
Density  0.803 g/mL at 25 °C (lit.)
vapor density  2.96 (vs air)
vapor pressure  30 mm Hg ( 20 °C)
refractive index  n20/D 1.388(lit.)
FEMA  2692 | 3-METHYLBUTYRALDEHYDE
Flash point 29 °F
storage temp.  2-8°C
solubility  alcohol: miscible, soluble in Propylene glycol and oils.
form  Liquid
color  Clear colorless to light yellow
Specific Gravity 0.80
Odor at 0.10 % in dipropylene glycol. ethereal aldehydic chocolate peach fatty
Odor Type aldehydic
biological source synthetic
explosive limit 1.7-6.8%(V)
Odor Threshold 0.0001ppm
Water Solubility  15 g/L (20 ºC)
Merck  14,5229
JECFA Number 258
BRN  773692
Henry's Law Constant 1.1×10-2 mol/(m3Pa) at 25℃, Bruneel et al. (2016)
Stability Stable, but light and air sensitive. Highly flammable. Readily forms explosive mixtures with air. Incompatible with strong oxidizing agents, bases, reducing agents, air.
Cosmetics Ingredients Functions PERFUMING
FRAGRANCE
InChI 1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3
InChIKey YGHRJJRRZDOVPD-UHFFFAOYSA-N
SMILES [H]C(=O)CC(C)C
LogP 1.5 at 25℃ and pH7
CAS DataBase Reference 590-86-3(CAS DataBase Reference)
NIST Chemistry Reference Butanal, 3-methyl-(590-86-3)
EPA Substance Registry System Isovaleraldehyde (590-86-3)

Safety Information

Hazard Codes  F,Xi
Risk Statements  11-36-36/37/38-43-36/37
Safety Statements  7-16-26-36-37/39-37-24-9
RIDADR  UN 1989 3/PG 2
WGK Germany  1
RTECS  ES3450000
F  13
Autoignition Temperature 464 °F
TSCA  TSCA listed
HazardClass  3
PackingGroup  II
HS Code  29121900
Storage Class 3 - Flammable liquids
Hazard Classifications Aquatic Chronic 2
Eye Irrit. 2
Flam. Liq. 2
Skin Sens. 1
STOT SE 3
Hazardous Substances Data 590-86-3(Hazardous Substances Data)

MSDS

Usage And Synthesis

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