ISOAMYL HEXANOATE Structure

ISOAMYL HEXANOATE

Chemical Properties

Melting point -47°C (estimate)
Boiling point 222 °C(lit.)
Density  0.86 g/mL at 25 °C(lit.)
FEMA  2075 | ISOAMYL HEXANOATE
refractive index  n20/D 1.42(lit.)
FLAVIS Number 09.070 | 3-Methylbutyl hexanoate
Flash point 185 °F
storage temp.  Store below +30°C.
Water Solubility  Insoluble in water
form  clear liquid
color  Colorless to Light yellow
Odor at 100.00 %. fruity banana apple pineapple green
Odor Type fruity
biological source synthetic
JECFA Number 46
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3
InChIKey XVSZRAWFCDHCBP-UHFFFAOYSA-N
SMILES CCCCCC(=O)OCCC(C)C
LogP 4.23
CAS DataBase Reference 2198-61-0(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) ISOAMYL HEXANOATE
FDA 21 CFR 172.515
EWG's Food Scores 1
FDA UNII 694171CHWH
NIST Chemistry Reference Isopentyl hexanoate(2198-61-0)
EPA Substance Registry System Hexanoic acid, 3-methylbutyl ester (2198-61-0)
UNSPSC Code 12164502
NACRES NA.21

Safety

Symbol(GHS) Flame (GHS02)
Signal wordWarning
Hazard statements H227
Precautionary statements P210-P280-P370+P378-P403+P235-P501
Safety Statements  24/25
WGK Germany  2
RTECS  MO8389300
TSCA  TSCA listed
HS Code  29159080
HS Code  29349990
Storage Class 10 - Combustible liquids
Toxicity LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg
NFPA 704:
2
0 0

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