97-85-8

Name Isobutyl isobutyrate
CAS 97-85-8
EINECS(EC#) 202-612-5
Molecular Formula C8H16O2
MDL Number MFCD00008916
Molecular Weight 144.21
MOL File 97-85-8.mol

Chemical Properties

Appearance CLEAR LIQUID
Melting point  -81 °C (lit.)
Boiling point  145-152 °C (lit.)
density  0.855 g/mL at 25 °C(lit.)
vapor pressure  1 mm Hg ( 39.9 °C)
FEMA  2189
refractive index  n20/D 1.398(lit.)
Fp  99 °F
storage temp.  Flammables area
solubility  1g/l
form  Liquid
color  Clear
Odor at 100.00 %. ethereal fruity tropical fruit pineapple grape skin banana
PH 7 (H2O)
biological source synthetic
explosive limit 1.2%(V)
Odor Threshold 0.075ppm
Odor Type fruity
Water Solubility  Soluble in water (1 g/L at 20oc).
Detection Methods GC,NMR
JECFA Number 194
Merck  14,5145
BRN  1701355
Henry's Law Constant 7.4×10-3 mol/(m3Pa) at 25℃, Brockbank (2013)
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3
InChIKey RXGUIWHIADMCFC-UHFFFAOYSA-N
SMILES CC(C)COC(=O)C(C)C
LogP 3.17 at 20℃
Uses
Flavoring, insect repellent, nitrocellulose lacquers and thinners, substitute for methyl amyl acetate.
CAS DataBase Reference 97-85-8(CAS DataBase Reference)
NIST Chemistry Reference Propanoic acid, 2-methyl-, 2-methylpropyl ester(97-85-8)
EPA Substance Registry System 97-85-8(EPA Substance)

Safety Data

Symbol(GHS)  Flame (GHS02)
GHS02
Signal word  Warning
Hazard statements  H226
Precautionary statements  P210-P370+P378
Hazard Codes  Xi
Risk Statements 
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
RIDADR  UN 2528 3/PG 3
WGK Germany  2
RTECS  NQ5250000
Autoignition Temperature 810 °F
TSCA  Yes
REACH Registrations Active
HazardClass  3
PackingGroup  III
HS Code  29159000
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 3
Hazardous Substances Data 97-85-8(Hazardous Substances Data)

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

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