3-phenyl propyl isovalerate
3-phenylpropyl isovalerate
  • Alfrebro
    • Alfrebro LLC
      Let's get reacquainted
      Building great taste with aroma chemicals, extracts, and distillates
      The Alfrebro brand was established in the early 1900s by Alex Fries & Brothers, a Cincinnati Flavor Company. In 1980, the brand was re-launched as an aroma chemical manufacturer. Since its inception, Alfrebro’s primary focus has been to provide quality natural and high value synthetic chemicals.
      Email: Sarah Forbis
      Email: Sales
      Voice: 513-539-3021
      Fax: 513-539-7372
      US Voice: 513-539-7373
  • Lluch Essence
    • Lluch Essence S.L.
      A family company dedicated to sales and distribution
      Flexibility, availability, price and quality.
      Flexibility, availability, price and quality make LLUCH ESSENCE S.L. one of Europe’s references when it comes to essential oils and aroma chemicals, and it is now well known all around the world.
      Email: Info
      Voice: 34 93 379 38 49
      Fax: 34 93 370 65 04
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
      US Email: Technical Services
      US Email: Sales
      US Voice: (973) 740-2300
      US Fax: (973) 740-1839
      16-47000 3-PHENYLPROPYL ISOVALERATE, Kosher
  • SRS Aromatics
    • SRS Aromatics Ltd
      For over 25 years
      Bringing flavour and fragrance into your world.
      As suppliers / distributors of ingredients to the fragrance and flavour industries, our goal is to provide high quality materials at competitive prices with an exceptional level of service. Established in 1984, SRS Aromatics Ltd is an independent family owned business which has become very well-respected within the fragrance and flavour industry as a reliable and trustworthy partner. Over the years this has allowed the company to develop strong relationships with many global manufacturers; several of whom we represent in the UK. A core aim of our business is to work extremely closely with both our suppliers and customers to maximise service levels with minimum disruption to supply.
      Email: Info
      Email: Sales
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3-phenylpropyl 3-methylbutanoate (Click)
CAS Number: 5452-07-3
ECHA EINECS - REACH Pre-Reg: 226-692-6
Nikkaji Web: J183.052J
MDL: MFCD00213800
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
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
IBM Patents: Obtain
Pubchem Patents: Search
JECFA Food Flavoring: 641  3-phenylpropyl isovalerate
Flavis Number: 09.467 (Old)
DG SANTE Food Flavourings: 09.467  3-phenylpropyl isovalerate
FEMA Number: 2899  3-phenylpropyl isovalerate
FDA Regulation:
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.98000 @  25.00 °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)
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Organoleptic Properties:
Odor Type: fruity
Odor Strength: medium
 strawberry  raspberry  plum  
Odor Description:
at 100.00 %. 
strawberry raspberry plum
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Cosmetic Information:
None found
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Odor: Fruity, Strawberry, Raspberry, Plum
Grau Aromatics
NI, Kosher
Inoue Perfumery
Lluch Essence
3-phenyl propyl isovalerate
Penta International
SRS Aromatics
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Safety Information:
European 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.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for 3-phenyl propyl isovalerate usage levels up to:
  5.0000 % in the fragrance concentrate.
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
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 3
Click here to view publication 3
 average usual ppmaverage maximum ppm
baked goods: -1.70000
beverages(nonalcoholic): -0.90000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.90000
fruit ices: -0.90000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -1.80000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of cinnamyl derivatives used as flavor ingredients.View pdf
European Food Safety Athority(efsa): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 15 (FGE.15): Aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives from chemical group 22 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf
Flavouring Group Evaluation 15, Revision 1 (FGE.15Rev1) - Aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives from chemical group 22 - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 68 (FGE.68): Consideration of cinnamyl alcohol and related flavouring agents evaluated by JECFA (55th meeting) evaluated by EFSA in FGE.15Rev1 (2008)
View page or View pdf
EPI System: View
Chemicalize.org: Calculate predicted properties
EPA ACToR: Toxicology Data
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 3-phenylpropyl 3-methylbutanoate
DTP/NCI: 21901
Chemidplus: 0005452073
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 3-phenylpropyl 3-methylbutanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 5452-07-3
Pubchem (cid): 62578
Pubchem (sid): 135021010
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS): View
HMDB (The Human Metabolome Database): HMDB36389
Export Tariff Code: 2915.60.0000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
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Potential Blenders and core components note
 acetaldehyde methyl hexyl acetalFR
 acetyl methyl anthranilateFL/FR
isoamyl acetateFL/FR
isoamyl butyrateFL/FR
isoamyl formateFL/FR
isoamyl isobutyrateFL/FR
isoamyl isovalerateFL/FR
isoamyl propionateFL/FR
isoamyl salicylateFL/FR
 amyl valerateFL/FR
para-anisyl acetateFL/FR
para-anisyl butyrateFL/FR
para-anisyl propanalFR
 apple crotonateFR
 apricot isobutyrateFR
 benzyl acetateFL/FR
 benzyl benzoateFL/FR
 benzyl butyrateFL/FR
 benzyl cinnamateFL/FR
 benzyl isobutyrateFL/FR
 berry hexanoateFR
 berry pentadienoateFL/FR
 bornyl acetateFL/FR
 butyl anthranilateFL/FR
 butyl formateFL/FR
isobutyl isovalerateFL/FR
isobutyl salicylateFL/FR
 butyl valerateFL/FR
isobutyl-3-(methyl thio) butyrateFL/FR
(S)-campholene acetateFL/FR
 cinnamon bark oil ceylonFL/FR
 cinnamyl alcoholFL/FR
 cinnamyl isobutyrateFL/FR
 cinnamyl isovalerateFL/FR
 cinnamyl valerateFL/FR
 citronellyl formateFL/FR
 citronellyl propionateFL/FR
 conifer acetateFR
para-cresyl butyrateFL/FR
 cuminyl alcoholFL/FR
 cyclohexyl butyrateFL/FR
 cyclohexyl ethyl acetateFL/FR
 cyclohexyl isovalerateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
 diphenyl methaneFL/FR
 ethyl 4-phenyl butyrateFL/FR
 ethyl acetateFL/FR
 ethyl acetoacetateFL/FR
 ethyl anthranilateFL/FR
 ethyl benzoateFL/FR
 ethyl butyrateFL/FR
 ethyl cinnamateFL/FR
 ethyl formateFL/FR
 ethyl heptanoateFL/FR
 ethyl lactateFL/FR
 ethyl maltolFL/FR
 ethyl nonanoateFL/FR
 ethyl ortho-anisateFL/FR
 ethyl phenyl acetateFL/FR
 ethyl propionateFL/FR
 ethyl salicylateFL/FR
 ethyl valerateFL/FR
 ethyl vanillinFL/FR
 fruity ketalFL/FR
 geranyl butyrateFL/FR
 geranyl formateFL/FR
 guaiyl butyrateFR
 heliotropyl acetateFL/FR
 heliotropyl acetoneFL/FR
 heptyl formateFL/FR
 herbal undecanoneFR
 hexyl 2-methyl butyrateFL/FR
 hexyl acetateFL/FR
 hexyl butyrateFL/FR
 hexyl formateFL/FR
 hexyl isovalerateFL/FR
 hyacinth etherFR
beta-ionyl acetateFL/FR
 leather propionateFR
 lemon oil c.p. californiaFL/FR
 maltyl isobutyrateFL/FR
 methyl (E)-cinnamateFL/FR
 methyl 2-hexenoateFL/FR
para-methyl acetophenoneFL/FR
 methyl anthranilateFL/FR
 methyl benzoateFL/FR
 methyl cinnamateFL/FR
 methyl formateFL
 methyl heptine carbonateFL/FR
 methyl isoeugenolFL/FR
 methyl propionateFL/FR
 methyl salicylateFL/FR
2-methyl-2-pentenoic acidFL/FR
beta-naphthyl ethyl etherFL/FR
beta-naphthyl methyl etherFL/FR
 neroli oil bigardeFL/FR
 nerolin fragarolFL/FR
 neryl isobutyrateFL/FR
 octyl acetateFL/FR
 octyl propionateFL/FR
 orris rhizome absolute (iris pallida)FL/FR
 petitgrain mandarin oilFL/FR
 phenethyl acetateFL/FR
 phenethyl alcoholFL/FR
 phenethyl benzoateFL/FR
 phenethyl butyrateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl propionateFL/FR
1-phenyl propyl butyrateFL/FR
 phenyl propyl valerateFL/FR
 plum crotonateFR
 propyl acetateFL/FR
isopropyl butyrateFL/FR
 propyl formateFL/FR
isopropyl formateFL/FR
 propyl heptanoateFL/FR
 propyl isobutyrateFL/FR
isopropyl isobutyrateFL/FR
isopropyl propionateFL/FR
 propyl salicylateFR
 prune glycidateFR
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
 rhodinyl acetateFL/FR
 rose absolute (rosa damascena) bulgariaFL/FR
 rum etherFL/FR
 strawberry furanoneFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 strawberry glycidate 2FL/FR
 styralyl acetateFL/FR
 terpinyl butyrateFL/FR
 terpinyl valerateFL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
 watermelon ketoneFR
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Potential Uses:
 fern fougereFR
 rose redFR
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Natural Occurrence in: note
 found in nature
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 butanoic acid, 3-methyl-, 3-phenylpropyl ester
 hydrocinnamyl 3-methyl butanoate
 hydrocinnamyl isovalerate
beta-phenyl propyl 3-methyl butanaote
3-phenyl propyl isopentanoate
3-phenyl propyl isovalerianate
 phenyl-3-propyl isovalerate
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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 None found yet.
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Picture of molecule
Similar Items: note
allyl valerate
allyl isovalerate
amyl valerate
amyl isovalerate
isoamyl valerate
isoamyl isovalerate
para-anisyl isovalerate
para-anisyl valerate
benzyl valerate
benzyl isovalerate
bornyl valerate
bornyl isovalerate
(-)-bornyl isovalerate
isobornyl isovalerate
S-sec-butyl thioisovalerate
butyl valerate
butyl isovalerate
isobutyl valerate
isobutyl isovalerate
carvyl isovalerate
cinnamyl valerate
cinnamyl isovalerate
citronellyl valerate
citronellyl isovalerate
para-cresyl valerate
para-cresyl isovalerate
cyclohexyl valerate
cyclohexyl isovalerate
cyclotene isovalerate
decyl valerate
decyl isovalerate
ethyl valerate
ethyl isovalerate
eugenyl isovalerate
furfuryl isovalerate
furfuryl valerate
geranyl valerate
geranyl isovalerate
(E)-2-hepten-1-yl isovalerate
heptyl isovalerate
sec-heptyl isovalerate
heptyl valerate
(E)-2-hexen-1-yl valerate
(E)-2-hexen-1-yl isovalerate
(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:
 water, very slightly
 water, 5.295 mg/L @ 25 °C (est)
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