110-19-0

Name Isobutyl acetate
CAS 110-19-0
EINECS(EC#) 203-745-1
Molecular Formula C6H12O2
MDL Number MFCD00008932
Molecular Weight 116.16
MOL File 110-19-0.mol

Chemical Properties

Appearance Butyl acetates are colorless or yellowish liquids with pleasant, fruity odors. There are 4 isomers.
Melting point  -99 °C (lit.)
Boiling point  115-117 °C (lit.)
density  0.873
vapor density  >4 (vs air)
vapor pressure  15 mm Hg ( 20 °C)
FEMA  2175
refractive index  n20/D 1.39(lit.)
Fp  71 °F
storage temp.  Flammables area
solubility  water: soluble5.6g/L at 20°C
form  Liquid
color  Clear
Odor Agreeable fruity odor in low concentrations, disagreeable in higher concentrations; mild, characteristic ester; nonresidual.
PH 5 (4g/l, H2O, 20℃)
PH Range 7
biological source synthetic
explosive limit 2.4-10.5%(V)
Odor Threshold 0.008ppm
Odor Type fruity
Water Solubility  7 g/L (20 ºC)
Specific Heat Capacity Cp(liquid):233.8J/(g·K),at 25℃
JECFA Number 137
Merck  14,5130
BRN  1741909
Henry's Law Constant (x 10-4 atm?m3/mol): 4.85 at 25 °C (approximate - calculated from water solubility and vapor pressure)
Dielectric constant 5.6(20℃)
Exposure limits TLV-TWA 150 ppm (~700 mg/m3) (ACGIH, MSHA, and OSHA); IDLH 7500 ppm (NIOSH).
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
Uses
Isobutyl Acetate is a flavoring agent that is a clear colorless liquid with a fruity odor resembling banana when diluted. it is soluble in alcohol, propylene glycol, most fixed oils, and mineral oil, and slightly soluble in water. it is obtained by synthesis.
CAS DataBase Reference 110-19-0(CAS DataBase Reference)
NIST Chemistry Reference Isobutyl acetate(110-19-0)
EPA Substance Registry System 110-19-0(EPA Substance)

Safety Data

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
Signal word  Danger
Hazard statements  H225-H336
Precautionary statements  P210-P233-P240-P241-P242-P243
Hazard Codes  F
Risk Statements 
R11:Highly Flammable.
R66:Repeated exposure may cause skin dryness or cracking.
Safety Statements 
S16:Keep away from sources of ignition-No smoking .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S25:Avoid contact with eyes .
S29:Do not empty into drains .
S33:Take precautionary measures against static discharges .
OEB A
OEL TWA: 150 ppm (700 mg/m3)
RIDADR  UN 1213 3/PG 2
WGK Germany  1
RTECS  AI4025000
Autoignition Temperature 793 °F
TSCA  Yes
REACH Registrations Active
HazardClass  3
PackingGroup  II
HS Code  29153900
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 2
STOT SE 3
Hazardous Substances Data 110-19-0(Hazardous Substances Data)
IDLA 1,300 ppm [10% LEL]
IDLH 1,300 ppm [10% LEL]

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Hazard Information

Material Safety Data Sheet(MSDS)

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