Isoamyl butyrate Structure

Isoamyl butyrate

Chemical Properties

Melting point -73 °C
Boiling point 184-185 °C (lit.)
Density  0.862 g/mL at 25 °C (lit.)
vapor density  5.45 (vs air)
vapor pressure  1.1 hPa (20 °C)
refractive index  n20/D 1.411(lit.)
FEMA  2060 | ISOAMYL BUTYRATE
FLAVIS Number 09.055 | 3-Methylbutyl butyrate
Flash point 136 °F
storage temp.  Store below +30°C.
solubility  0.5g/l
form  liquid
color  Colorless to Almost colorless
Specific Gravity 0.866 (20/4℃)
Odor at 100.00 %. fruity green apricot pear banana
Odor Type fruity
biological source synthetic
Water Solubility  184.7mg/L at 20℃
Merck  14,5115
JECFA Number 45
Henry's Law Constant 1.1×10-2 mol/(m3Pa) at 25℃, Brockbank (2013)
Dielectric constant 3.9(20℃)
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3
InChIKey PQLMXFQTAMDXIZ-UHFFFAOYSA-N
SMILES CCCC(=O)OCCC(C)C
LogP 3.99 at 22.4℃
CAS DataBase Reference 106-27-4(CAS DataBase Reference)
FDA 21 CFR 172.515
Substances Added to Food (formerly EAFUS) ISOAMYL BUTYRATE
EWG's Food Scores 1
FDA UNII 505AFM77VU
NIST Chemistry Reference Butanoic acid, 3-methylbutyl ester(106-27-4)
EPA Substance Registry System Isoamyl butyrate (106-27-4)
UNSPSC Code 12352108
NACRES NA.22

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H226-H412
Precautionary statements P210-P233-P240-P241-P242-P273
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36/37/39-24/25
RIDADR  UN 3272 3/PG 3
WGK Germany  1
RTECS  ET5034000
TSCA  TSCA listed
HazardClass  3
PackingGroup  III
HS Code  29156019
Storage Class 3 - Flammable liquids
Hazard Classifications Aquatic Chronic 3
Flam. Liq. 3
Toxicity LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg
NFPA 704:
2
0 0

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