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Isoamyl butyrate Structure

Isoamyl butyrate

  • Product NameIsoamyl butyrate
  • CAS106-27-4
  • CBNumberCB0352329
  • MFC9H18O2
  • MW158.24
  • EINECS203-380-8
  • MDL NumberMFCD00044888
  • MOL File106-27-4.mol

Chemical Properties

Melting point: -73 °C
Boiling point: 179 °C
Density  0.87
vapor density  5.45 (vs air)
vapor pressure  1.1 hPa (20 °C)
refractive index  1.41
FEMA  2060 | ISOAMYL BUTYRATE
Flash point: 59 °C
storage temp.  Store below +30°C.
solubility  0.5g/l
form  clear liquid
color  Colorless to Almost colorless
Specific Gravity 0.866 (20/4℃)
Odor at 100.00 %. fruity green apricot pear banana
Odor Type fruity
biological source synthetic
Water Solubility  184.7mg/L at 20℃
JECFA Number 45
Merck  14,5115
Henry's Law Constant 1.1×10-2 mol/(m3Pa) at 25℃, Brockbank (2013)
Dielectric constant 3.9(20℃)
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3
InChIKey PQLMXFQTAMDXIZ-UHFFFAOYSA-N
SMILES CCCC(=O)OCCC(C)C
LogP 3.99 at 22.4℃
CAS DataBase Reference 106-27-4(CAS DataBase Reference)
NIST Chemistry Reference Butanoic acid, 3-methylbutyl ester(106-27-4)
EPA Substance Registry System Isoamyl butyrate (106-27-4)

Safety

Symbol(GHS)  Flame (GHS02)
GHS02
Signal word  Warning
Hazard statements  H226-H412
Precautionary statements  P210-P233-P240-P241-P242-P273
PPE Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36/37/39-24/25
RIDADR  UN 3272 3/PG 3
WGK Germany  1
RTECS  ET5034000
TSCA  TSCA listed
HazardClass  3
PackingGroup  III
HS Code  2915600000
Storage Class 3 - Flammable liquids
Hazard Classifications Aquatic Chronic 3
Flam. Liq. 3
Toxicity LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg
REACH Registrations Active
Limited Quantities 5.0 L (1.3 gallons) (liquid)
Excepted Quantities Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
NFPA 704:
2
0 0

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Isoamyl butyrate Chemical Properties,Usage,Production

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