5579-78-2

Name 7-BUTYL-2-OXEPANONE
CAS 5579-78-2
EINECS(EC#) 226-963-9
Molecular Formula C10H18O2
MDL Number MFCD00209538
Molecular Weight 170.25
MOL File 5579-78-2.mol
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Chemical Properties

Boiling point  117 °C3 mm Hg(lit.)
density  0.976 g/mL at 25 °C(lit.)
FEMA  3613 | EPSILON-DECALACTONE
refractive index  n20/D 1.461(lit.)
Fp  >230 °F
Specific Gravity 0.98
Odor sweet creamy tonka
biological source synthetic
Odor Type coumarinic
JECFA Number 241
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C10H18O2/c1-2-3-6-9-7-4-5-8-10(11)12-9/h9H,2-8H2,1H3
InChIKey YKVIWISPFDZYOW-UHFFFAOYSA-N
SMILES CCCCC1CCCCC(=O)O1
LogP 2.45
EPA Substance Registry System 2-Oxepanone, 7-butyl- (5579-78-2)

Safety Data

Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  2
RTECS  RQ6670000
TSCA  TSCA listed
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Hazard Information

Spectrum Detail

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