1128-08-1

Name 2-Pentyl-3-methyl-2-cyclopenten-1-one
CAS 1128-08-1
EINECS(EC#) 214-434-5
Molecular Formula C11H18O
MDL Number MFCD00036480
Molecular Weight 166.26
MOL File 1128-08-1.mol
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Chemical Properties

Boiling point  120-121 °C12 mm Hg(lit.)
density  0.916 g/mL at 25 °C(lit.)
FEMA  3763
refractive index  n20/D 1.479(lit.)
Fp  230 °F
storage temp.  Store at -20°C
solubility  DMSO:100.0(Max Conc. mg/mL);601.45(Max Conc. mM)
form  clear liquid
color  A colourless, slightly oily liquid with a floral-like odour
Specific Gravity 0.914～0.916 (20/4℃)
Odor at 100.00 %. fresh outdoor jasmin myrrh woody spice herbal
biological source synthetic
Odor Type floral
JECFA Number 1406
BRN  1906471
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C11H18O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h3-8H2,1-2H3
InChIKey YCIXWYOBMVNGTB-UHFFFAOYSA-N
SMILES CCCCCC1=C(C)CCC1=O
LogP 3.25
CAS DataBase Reference 1128-08-1(CAS DataBase Reference)
NIST Chemistry Reference Dihydrojasmone(1128-08-1)
EPA Substance Registry System 1128-08-1(EPA Substance)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H303
Precautionary statements  P270-P301+P312-P403-P501c
WGK Germany  2
RTECS  GY7302000
TSCA  Yes
HS Code  29142990
Storage Class 10 - Combustible liquids
Toxicity
The acute oral LD50 in rats was reported as 2.5 g/kg (1.79-3.50 g/kg) (Keating, 1972). The acute dermal LD50 value in rabbits was reported as 5 g/kg (Keating, 1972).

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