3−phenyl propyl isovalerate
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  • Organoleptics
      • Organoleptic Properties
        Odor Type :fruity
        Odor Strength :medium
        Odor Description:
        at 100.00 %. 
        strawberry raspberry plum
  • Properties
      • Physical Properties
        Appearance :colorless clear liquid (est)
        Assay : 95.00 to 100.00 % 
        Food Chemicals Codex Listed :No
        Specific Gravity :0.96200 to 0.97100 @  25.00 °C.
        Pounds per Gallon - (est). : 8.005 to  8.080
        Refractive Index :1.48200 to 1.48900 @  20.00 °C.
        Boiling Point : 280.00 to  285.00 °C. @ 760.00 mm Hg
        Vapor Pressure :0.001000 mm/Hg @ 25.00 °C. (est)
        Flash Point :> 230.00 °F. TCC ( > 110.00 °C. )
        logP (o/w) : 4.219 (est)
  • Safety
      • Safety Information
        Most important hazard(s) :Xi - Irritant
          R 36/38 - Irritating to skin and eyes.
        S 02 - Keep out of the reach of children.
        S 24/25 - Avoid contact with skin and eyes.
        S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
        S 36 - Wear suitable protective clothing.
        Oral/Parenteral Toxicity : 
          Not determined
        Dermal Toxicity : 
          Not determined
        Inhalation Toxicity : 
          Not determined
  • Safety in Use
      • Safety in Use Information
        Category :flavor and fragrance agents
        Maximised Survey-derived Daily Intakes (MSDI-EU) :0.012 (μg/capita/day)
        Maximised Survey-derived Daily Intakes (MSDI-USA) :0.10 (μg/capita/day)
        Structure Class :I
        Recommendation for 3−phenyl propyl isovalerate fragrance usage levels up to :
          5.0000 % in the fragrance concentrate.
        Recommendation for 3−phenyl propyl isovalerate flavor usage levels up to :
          2.0000 ppm in the finished product.
  • Safety References
3-cyclohexylpropyl 3-methylbutanoate (Click)
CAS Number : 5452-07-3
ESIS EC# (EINECS) :226-692-6
CoE Number :462
XlogP3 :3.80 (est)
Molecular Weight :220.31180000
Formula :C14 H20 O2
NMR Predictor :Predict
Category :flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information :
Google Scholar : Search Google Books : Search
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Google Patents : Search US Patents : Search
EU Patents : Search IBM Patents : Obtain
Pubchem Patents:Search
EU SANCO Food Flavourings :Search
JECFA Food Flavoring :641  3-phenylpropyl isovalerate
FEMA Number :2899  3-phenylpropyl isovalerate
FDA Mainterm : 3-PHENYLPROPYL ISOVALERATE
FDA Regulation :FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
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Picture of molecule
3−cyclohexylpropyl 3−methylbutanoate
Synonyms :
 butanoic acid, 3−methyl−, 3−phenylpropyl ester
3-cyclohexylpropyl 3−methylbutanoate
 hydrocinnamyl 3−methyl butanoate
 hydrocinnamyl isovalerate
beta-phenyl propyl 3−methyl butanaote
3-phenyl propyl isopentanoate
3-phenyl propyl isovalerianate
 phenyl−3−propyl isovalerate
 phenyl−3−propyl−iso−valerate
beta-phenylpropyl 3−methylbutanaote
3-phenylpropyl 3−methylbutanoate
3-phenylpropyl isopentanoate
3-phenylpropyl isovalerate
3-phenylpropyl isovalerianate
isovaleric acid, 3−phenylpropyl ester
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 decyl valerate
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(E)-2-hepten−1−yl isovalerate
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sec-heptyl isovalerate
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(E)-2-hexen−1−yl valerate
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(Z)-3-hexen−1−yl valerate
(Z)-3-hexen−1−yl isovalerate
 hexyl valerate
 hexyl isovalerate
 linalyl valerate
 linalyl isovalerate
 menthyl valerate
 menthyl isovalerate
 methyl 2−methyl valerate
 methyl 4−methyl valerate
2-methyl butyl isovalerate
4-methyl pentyl isovalerate
 methyl thio isovalerate
 methyl valerate
 methyl isovalerate
 myrtenyl isovalerate
 neryl isovalerate
 nonyl isovalerate
 nonyl valerate
 octyl valerate
 octyl isovalerate
 phenethyl isovalerate
2-phenethyl valerate
 phenyl propyl valerate
S-prenyl thioisovalerate
isopropyl thioisovalerate
 propyl valerate
 propyl isovalerate
isopropyl valerate
isopropyl isovalerate
 rhodinyl isovalerate
 terpinyl isovalerate
 terpinyl valerate
Soluble in :
 alcohol
 water, very slightly
 water, 5.295 mg/L @ 25 °C (est)
Insoluble in :
 water
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