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102-13-6

Name Phenylacetic acid isobutyl ester
CAS 102-13-6
EINECS(EC#) 203-007-9
Molecular Formula C12H16O2
MDL Number MFCD00026482
Molecular Weight 192.25
MOL File 102-13-6.mol
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Chemical Properties

Appearance Colorless liquid; honeylike odor.Soluble in most fixed oils; insoluble in glycerol, mineral oil, and propyene glycol. Combustible.
Boiling point  253 °C(lit.)
density  0.986 g/mL at 25 °C(lit.)
vapor pressure  2-3.4Pa at 20-25℃
FEMA  2210
refractive index  n20/D 1.487(lit.)
Fp  >230 °F
form  Liquid
color  Colorless to Light yellow
Specific Gravity 0.985～0.991 (20/4℃)
Odor at 100.00 %. sweet floral honey chocolate amber
Odor Type chocolate
JECFA Number 1013
LogP 3.5 at 35℃ and pH7
Uses
Flavoring agent, perfumes.
CAS DataBase Reference 102-13-6(CAS DataBase Reference)
NIST Chemistry Reference Iso-butyl-phenyl-acetate(102-13-6)
EPA Substance Registry System 102-13-6(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 .
WGK Germany  2
RTECS  CY1681950
TSCA  Yes
HS Code  29163990
Toxicity
Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg.

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