97-87-0

Name Butyl isobutyrate
CAS 97-87-0
EINECS(EC#) 202-614-6
Molecular Formula C8H16O2
MDL Number MFCD00048773
Molecular Weight 144.21
MOL File 97-87-0.mol

Chemical Properties

Melting point  -88.07°C (estimate)
Boiling point  155-156 °C(lit.)
density  0.862 g/mL at 25 °C(lit.)
FEMA  2188
refractive index  n20/D 1.401(lit.)
Fp  110 °F
form  clear liquid
color  Colorless to Almost colorless
Odor at 100.00 %. sweet fruity green tropical apple banana
biological source synthetic
Odor Threshold 0.022ppm
Odor Type fruity
JECFA Number 188
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C8H16O2/c1-4-5-6-10-8(9)7(2)3/h7H,4-6H2,1-3H3
InChIKey JSLCOZYBKYHZNL-UHFFFAOYSA-N
SMILES CCCCOC(=O)C(C)C
LogP 2.65
CAS DataBase Reference 97-87-0(CAS DataBase Reference)
NIST Chemistry Reference Propanoic acid, 2-methyl-, butyl ester(97-87-0)
EPA Substance Registry System 97-87-0(EPA Substance)

Safety Data

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
Signal word  Warning
Hazard statements  H226-H315-H319-H335
Precautionary statements  P210-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements 
R10:Flammable.
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 .
RIDADR  UN 3272 3/PG 3
WGK Germany  2
RTECS  UA2466945
HazardClass  3
PackingGroup  III
HS Code  29156000
Storage Class 3 - Flammable liquids
Hazard Classifications Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

Well-known Reagent Company Product Information

Supplier