108-21-4

Name Isopropyl acetate
CAS 108-21-4
EINECS(EC#) 203-561-1
Molecular Formula C5H10O2
MDL Number MFCD00008877
Molecular Weight 102.13
MOL File 108-21-4.mol

Chemical Properties

Appearance colourless liquid with a fruity odour
Melting point  -73 °C
Boiling point  88.8 °C
density  0.872 g/mL at 25 °C(lit.)
vapor density  3.5 (vs air)
vapor pressure  47 mm Hg ( 20 °C)
FEMA  2926
refractive index  n20/D 1.377(lit.)
Fp  62 °F
storage temp.  Flammables area
solubility  1 M HCl: soluble50mg/mL, clear to slightly hazy, colorless
form  Liquid
color  Clear colorless
Odor Pleasant, fruity; nonresidual.
Stability: Stable. Flammable-note low flash point. Incompatible with strong oxidizing agents, strong acids, nitrates, alkali metals. May attack some plastics and rubber.
biological source synthetic
explosive limit 1.8%, 37°F
Odor Threshold 0.16ppm
Odor Type ethereal
Water Solubility  2.90 g/100 mL
FreezingPoint  -73.4℃
Specific Heat Capacity Cp(liquid):199.4J/(g·K),at 25℃
Sensitive  Moisture Sensitive
JECFA Number 305
Merck  14,5205
BRN  1740761
Henry's Law Constant 3.3×10-2 mol/(m3Pa) at 25℃, Brockbank (2013)
Exposure limits TLV-TWA 250 ppm (~950 mg/m3) (ACGIH, MSHA, and OSHA); TLV-STEL 310 ppm (~1185 mg/m3) (ACGIH); IDLH 16,000 ppm (NIOSH).
Cosmetics Ingredients Functions SOLVENT
Cosmetic Ingredient Review (CIR) Isopropyl acetate (108-21-4)
InChI 1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3
InChIKey JMMWKPVZQRWMSS-UHFFFAOYSA-N
SMILES CC(C)OC(C)=O
LogP 1.03-1.18 at 20℃
Surface tension 21.89mN/m at 298.15K
CAS DataBase Reference 108-21-4(CAS DataBase Reference)
NIST Chemistry Reference Acetic acid, 1-methylethyl ester(108-21-4)
EPA Substance Registry System 108-21-4(EPA Substance)

Safety Data

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
Signal word  Danger
Hazard statements  H225-H319-H336
Precautionary statements  P210-P233-P261-P280-P303+P361+P353-P370+P378
Hazard Codes  F,Xi
Risk Statements 
R11:Highly 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 1220 3/PG 2
WGK Germany  1
RTECS  AI4930000
Autoignition Temperature 894 °F
TSCA  Yes
REACH Registrations Active
HazardClass  3
PackingGroup  II
HS Code  29153900
Storage Class 3 - Flammable liquids
Hazard Classifications Eye Irrit. 2
Flam. Liq. 2
STOT SE 3
Hazardous Substances Data 108-21-4(Hazardous Substances Data)
Toxicity
LD50 orally in rats: 6.75 g/kg (Smyth)
IDLA 1,800 ppm
IDLH 1,800 ppm

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

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