2035-99-6

Name FEMA 2080
CAS 2035-99-6
EINECS(EC#) 218-004-8
Molecular Formula C13H26O2
MDL Number MFCD00048917
Molecular Weight 214.34
MOL File 2035-99-6.mol
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Chemical Properties

Melting point  -34.8°C (estimate)
Boiling point  267-268 °C
density  0.861 g/mL at 25 °C(lit.)
FEMA  2080
refractive index  n20/D 1.426(lit.)
Fp  >230 °F
storage temp.  Sealed in dry,Room Temperature
Water Solubility  Soluble in water
form  neat
color  Colorless to Light yellow
Odor at 100.00 %. sweet oily fruity green soapy pineapple coconut
biological source synthetic
Odor Type fruity
JECFA Number 47
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
SKIN CONDITIONING - EMOLLIENT
SKIN CONDITIONING
InChI 1S/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3
InChIKey XKWSWANXMRXDES-UHFFFAOYSA-N
SMILES CCCCCCCC(=O)OCCC(C)C
LogP 5.31
CAS DataBase Reference 2035-99-6(CAS DataBase Reference)
EPA Substance Registry System Octanoic acid, 3-methylbutyl ester (2035-99-6)
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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 .
WGK Germany  2
RTECS  RH0770000
TSCA  TSCA listed
HS Code  29156000
Storage Class 10 - Combustible liquids
Hazard Classifications Skin Irrit. 2

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