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Isobutyl acetate Structure

Isobutyl acetate

Chemical Properties

Melting point -99 °C (lit.)
Boiling point 115-117 °C (lit.)
Density  0.867 g/mL at 25 °C (lit.)
vapor density  >4 (vs air)
vapor pressure  15 mm Hg ( 20 °C)
FEMA  2175 | ISOBUTYL ACETATE
refractive index  n20/D 1.39(lit.)
Flash point 71 °F
storage temp.  Store below +30°C.
solubility  water: soluble5.6g/L at 20°C
form  Liquid
color  Clear
PH 5 (4g/l, H2O, 20℃)
Odor Agreeable fruity odor in low concentrations, disagreeable in higher concentrations; mild, characteristic ester; nonresidual.
PH Range 7
Odor Type fruity
biological source synthetic
Odor Threshold 0.008ppm
explosive limit 2.4-10.5%(V)
Water Solubility  7 g/L (20 ºC)
Specific Heat Capacity Cp(liquid): 2.01 J/(g·K), at 25℃
Merck  14,5130
JECFA Number 137
BRN  1741909
Henry's Law Constant (x 10-4 atmm3/mol): 4.85 at 25 °C (approximate - calculated from water solubility and vapor pressure)
Exposure limits ACGIH:TLV-TWA 50 ppm (238 mg/m3); TLV-STEL 150 ppm (712 mg/m3)
OSHA:PEL-TWA 150 ppm (700 mg/m3)
NIOSH:REL-TWA 150 ppm
Dielectric constant 5.6(20℃)
Major Application flavors and fragrances
Cosmetics Ingredients Functions SOLVENT
PERFUMING
Cosmetic Ingredient Review (CIR) Isobutyl acetate (110-19-0)
InChI 1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
InChIKey GJRQTCIYDGXPES-UHFFFAOYSA-N
SMILES CC(C)COC(C)=O
LogP 2.3 at 25℃
Surface tension 23.15mN/m at 298.15K
CAS DataBase Reference 110-19-0(CAS DataBase Reference)
NIST Chemistry Reference Isobutyl acetate(110-19-0)
EPA Substance Registry System Isobutyl acetate (110-19-0)

Safety Information

Hazard Codes  F
Risk Statements  11-66
Safety Statements  16-23-25-29-33
OEB A
OEL TWA: 150 ppm (700 mg/m3)
RIDADR  UN 1213
WGK Germany  1
RTECS  AI4025000
Autoignition Temperature 793 °F
TSCA  TSCA listed
HS Code  2915 39 00
HazardClass  3
PackingGroup  II
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 2
STOT SE 3
Hazardous Substances Data 110-19-0(Hazardous Substances Data)
Toxicity LD50 orally in Rabbit: 13400 mg/kg LD50 dermal Rabbit > 17400 mg/kg
IDLA 1,300 ppm [10% LEL]

MSDS

Usage And Synthesis

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