106-27-4

Name Isoamyl butyrate
CAS 106-27-4
EINECS(EC#) 203-380-8
Molecular Formula C9H18O2
MDL Number MFCD00044888
Molecular Weight 158.24
MOL File 106-27-4.mol

Chemical Properties

Appearance CLEAR COLOURLESS LIQUID
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)
FEMA  2060
refractive index  n20/D 1.411(lit.)
Fp  136 °F
storage temp.  Store below +30°C.
solubility  0.5g/l
form  neat
color  Colorless to Almost colorless
Specific Gravity 0.866 (20/4℃)
Odor at 100.00 %. fruity green apricot pear banana
biological source synthetic
Odor Type fruity
Water Solubility  184.7mg/L at 20℃
JECFA Number 45
Merck  14,5115
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℃
Uses
Isoamyl Butyrate is a synthetic flavoring agent that is a stable, col- orless liquid of strong fruity odor. it is usually prepared by esterifica- tion of isoamyl alcohols with butyric acid. it is soluble in most fixed oils and mineral oil and is insoluble in glycerin and propylene gly- col. storage should be in glass, tin, or resin-lined containers. it is used in fruit flavors such as pineapple, raspberry, and strawberry and has application in dessert gels, puddings, and baked goods at 50–60 ppm.
CAS DataBase Reference 106-27-4(CAS DataBase Reference)
NIST Chemistry Reference Butanoic acid, 3-methylbutyl ester(106-27-4)
EPA Substance Registry System 106-27-4(EPA Substance)

Safety Data

Symbol(GHS)  Flame (GHS02)
GHS02
Signal word  Warning
Hazard statements  H226-H412
Precautionary statements  P210-P233-P240-P241-P242-P273
Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S24/25:Avoid contact with skin and eyes .
RIDADR  UN 3272 3/PG 3
WGK Germany  1
RTECS  ET5034000
TSCA  Yes
REACH Registrations Active
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

Hazard Information

Material Safety Data Sheet(MSDS)

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