97-89-2

Name CITRONELLYL ISOBUTYRATE
CAS 97-89-2
EINECS(EC#) 202-616-7
Molecular Formula C14H26O2
MDL Number MFCD00026443
Molecular Weight 226.36
MOL File 97-89-2.mol
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Chemical Properties

Melting point  -22.4°C (estimate)
Boiling point  253 °C(lit.)
density  0.875 g/mL at 25 °C(lit.)
vapor pressure  1.9Pa at 25℃
FEMA  2313 | CITRONELLYL ISOBUTYRATE
refractive index  n20/D 1.442(lit.)
Fp  >230 °F
Odor at 100.00 %. sweet fruity floral geranium tropical
biological source synthetic
Odor Type fruity
JECFA Number 71
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,12-13H,6,8-10H2,1-5H3
InChIKey ZGPPERKMXSGYRK-UHFFFAOYSA-N
SMILES CC(CCOC(=O)C(C)C)CC\C=C(\C)C
LogP 5.415 at 25℃
EPA Substance Registry System Citronellyl isobutyrate (97-89-2)

Safety Data

WGK Germany  2
TSCA  TSCA listed
REACH Registrations Inactive
Storage Class 10 - Combustible liquids

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Hazard Information

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