540-18-1

Name Pentyl butyrate
CAS 540-18-1
EINECS(EC#) 208-739-2
Molecular Formula C9H18O2
MDL Number MFCD00048850
Molecular Weight 158.24
MOL File 540-18-1.mol

Chemical Properties

Melting point  -73.2°
Boiling point  184-188 °C (lit.)
density  0.863 g/mL at 25 °C(lit.)
FEMA  2059
refractive index  n20/D 1.41(lit.)
Fp  154 °F
solubility  miscible with Ether,Alcohol
form  clear liquid
color  Colorless liquid
Odor at 100.00 %. sweet fruity banana pineapple cherry tropical
biological source synthetic
Odor Type fruity
Water Solubility  174.1mg/L(20 ºC)
JECFA Number 152
Merck  604
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3
InChIKey CFNJLPHOBMVMNS-UHFFFAOYSA-N
SMILES CCCCCOC(=O)CCC
LogP 3.32
CAS DataBase Reference 540-18-1(CAS DataBase Reference)
NIST Chemistry Reference Amyl butanoate(540-18-1)
EPA Substance Registry System 540-18-1(EPA Substance)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
RIDADR  2620
WGK Germany  3
RTECS  ET5956000
TSCA  TSCA listed
HazardClass  3.2
PackingGroup  III
HS Code  29156000
Storage Class 10 - Combustible liquids
Safety Profile
Mildly toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes.
Toxicity
LD50 orally in rats: 12210 mg/kg (Jenner)

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

Questions And Answer

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