4-Ethyloctanoic acid Structure

4-Ethyloctanoic acid

Chemical Properties

Boiling point 163 °C (lit.)
Density  0.904 g/mL at 25 °C (lit.)
FEMA  3800 | 4-ETHYLOCTANOIC ACID
refractive index  1.439
FLAVIS Number 08.079 | 4-Ethyloctanoic acid
Flash point 212°F
storage temp.  Sealed in dry,Room Temperature
pka 4.79±0.10(Predicted)
form  Liquid
color  Colorless to light yellow
Odor at 1.00 % in propylene glycol. goaty lamb/mutton fatty
Odor Type fatty
biological source synthetic
Water Solubility  Slightly soluble in water(0.13 mg/mL). Soluble in hexane
JECFA Number 1218
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C10H20O2/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
InChIKey PWKJMPFEQOHBAC-UHFFFAOYSA-N
SMILES CCCCC(CC)CCC(O)=O
LogP 3.78
CAS DataBase Reference 16493-80-4(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) 4-ETHYLOCTANOIC ACID
EWG's Food Scores 1
FDA UNII F9ESD8LYSQ
EPA Substance Registry System 4-Ethyloctanoic acid (16493-80-4)
UNSPSC Code 12164502
NACRES NA.21

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  3
TSCA  TSCA listed
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704:
0
2 0

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4-Ethyloctanoic acid Spectrum