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Octanal Structure

Octanal

Chemical Properties

Melting point 12 to 15 °C (54 to 59 °F; 285 to 288 K)
Boiling point 171 °C (340 °F; 444 K)
Density  0.821 g/cm3
vapor pressure  2 mm Hg ( 20 °C)
FEMA  2797 | OCTANAL
refractive index  1.42
Flash point 51 °C (124 °F; 324 K)
storage temp.  Store below +30°C.
solubility  0.21g/l
form  liquid
color  Colorless or lightly yellow
Odor fatty-orange odor
explosive limit 1.0-6.5%(V)
Odor Threshold 0.00001ppm
Odor Type aldehydic
biological source synthetic
Water Solubility  slightly soluble
Sensitive  Air Sensitive
Merck  14,1766
JECFA Number 98
BRN  1744086
Henry's Law Constant 2.0×10-2 mol/(m3Pa) at 25℃, Brockbank (2013)
Stability Stable. Flammable. Incompatible with strong oxidizing agents, strong reducing agents, strong bases.
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
InChIKey NUJGJRNETVAIRJ-UHFFFAOYSA-N
SMILES [H]C(=O)CCCCCCC
LogP 3.5 at 20℃
CAS DataBase Reference 124-13-0(CAS DataBase Reference)
NIST Chemistry Reference Octanal(124-13-0)
EPA Substance Registry System Octanal (124-13-0)

Safety Information

Risk Statements  10
Safety Statements  16
RIDADR  UN 1191
WGK Germany  2
RTECS  RG7780000
F  10
Autoignition Temperature 190 °C
TSCA  TSCA listed
HazardClass  3
PackingGroup  III
HS Code  29121990
Storage Class 3 - Flammable liquids
Hazard Classifications Aquatic Chronic 3
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
Hazardous Substances Data 124-13-0(Hazardous Substances Data)
Toxicity LD50 orally in Rabbit: 4616 mg/kg LD50 dermal Rabbit 5207 mg/kg

MSDS

Usage And Synthesis

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