2-phenyl propyl isobutyrate
2-phenylpropyl isobutyrate
 
Notes:
Flavouring ingredient
  • Beijing Lys Chemicals
    • Beijing Lys Chemicals Co, LTD.
      From Grams to Tons
      Fine chemical high-tech company which contains R&D, production, and sales.
      BEIJING LYS CHEMICALS CO, LTD, established in 2004, is a fine chemical high-tech company which contains R&D, production, and sales. We mainly engaged in export and technology development of flavor and fragrance materials and pharmaceutical intermediates. We have nearly 500 kinds of products, from grams to tons, exported to USA, Europe, South Asia and etc. And we custom manufacture new products according to customers’ needs, and serve good quality products and service. Our goal is to become a fine chemical enterprise which could provide special products and services.
      Email: Mr. Jia
      Email: Mr. Guo
      Voice: 86-10-68418738
      Fax: 86-10-68418739
      Mr. Guo86-10-68483445
      Mr. Guo86-10-68418739
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      Product(s):
      10721 2-Phenylpropyl isobutyrate
       
  • 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
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      US Voice: (973) 740-2300
      US Fax: (973) 740-1839
      Product(s):
      16-46810 2-PHENYLPROPYL ISOBUTYRATE, Kosher
       
  • PerfumersWorld
    • PerfumersWorld Ltd.
      feeeel... the smell!
      The one-stop resource for the creative perfumer.
      No minimum orders. Aroma chemicals, essential oils, isolates, pheremones, absolutes, resinoids, FleuressenceTM key bases, PWx FactorTM, solubilizers, kits, creation systems, workshops, training, distance learning, The PerfumersWorld Perfumer's Studio, The Perfumer’s Formulation Bulletin, perfumery software, bespoke creation, analysis, consultancy, project counselling, trouble-shooting, unperfumed product bases, bottles, smelling strips, scales, distillation, equipment and inspiration!
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      Product(s):
      4FE07663 Tropicoeur Rhodia
       
  • Sigma-Aldrich
    • Sigma-Aldrich
      Complete Supply Chain
      The perfect blend of products and services that bring your creativity to life.
      Sigma-Aldrich is a leading Life Science and High Technology company dedicated to providing high-quality, safe and certified flavor ingredients with transparent and easily accessible documentation to customers around the globe. Sigma-Aldrich also provides a suite of analytical tools that allow food analysts to simplify sample preparation, cleanup and analysis steps, while increasing sensitivity to trace ingredients and harmful substances to meet regulations and quality standards.
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      Certified Food Grade Products
      Product(s):
      W289205 2-Phenylpropyl isobutyrate, ≥97%, FG
      SDS
       
Synonyms   Articles   Notes   Search
2-phenylpropyl 2-methylpropanoate (Click)
CAS Number: 65813-53-8Picture of molecule
ECHA EINECS - REACH Pre-Reg: 265-931-9
FDA UNII: 3H4JM1983E
Nikkaji Web: J149.942D
MDL: MFCD00008915
CoE Number: 2087
XlogP3-AA: 3.40 (est)
Molecular Weight: 206.28486000
Formula: C13 H18 O2
NMR Predictor: Predict (works with chrome or firefox)
[(2R)-2-phenylpropyl] 2-methylpropanoate (Click)
CAS Number: 65813-53-8  (R)Picture of molecule
XlogP3-AA: 3.40 (est)
Molecular Weight: 206.28486000
Formula: C13 H18 O2
NMR Predictor: Predict (works with chrome or firefox)
[(2S)-2-phenylpropyl] 2-methylpropanoate (Click)
CAS Number: 65813-53-8  (S)Picture of molecule
XlogP3-AA: 3.40 (est)
Molecular Weight: 206.28486000
Formula: C13 H18 O2
NMR Predictor: Predict (works with chrome or firefox)
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
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1470  2-phenylpropyl isobutyrate
Flavis Number: 09.485 (Old)
DG SANTE Food Flavourings: 09.485  2-phenylpropyl isobutyrate
FEMA Number: 2892  2-phenylpropyl isobutyrate
FDA Mainterm: 2-PHENYLPROPYL ISOBUTYRATE
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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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.97300 @  25.00 °C.
Refractive Index: 1.48600 @  20.00 °C.
Boiling Point: 270.00 to  271.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.006000 mm/Hg @ 25.00 °C. (est)
Flash Point: > 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 3.515 (est)
Soluble in:
 alcohol
 water, 19.04 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: floral
Odor Strength: medium
 fruity  floral  mango  pineapple  papaya  mango  tropical  
Odor Description:
at 100.00 %. 
fruity floral mango pineapple
Luebke, William tgsc, (1993)
  
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Cosmetic Information:
None found
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Suppliers:
Beijing Lys Chemicals
2-Phenylpropyl isobutyrate
Parchem
2-phenyl propyl isobutyrate
Penta International
2-PHENYLPROPYL ISOBUTYRATE, Kosher
PerfumersWorld
Tropicoeur Rhodia
Odor: fruity papaya mango tropical fruit pineapple
Perfumery Laboratory
HYDROTROPIL ISOBUTIRATE (HYDROTROPYL ISOBUTYRATE)
Odor: Sweet, smooth, fruity-floral fragrance with hints of mango, papaya, pineapple
Sigma-Aldrich
2-Phenylpropyl isobutyrate, ≥97%, FG
Odor: floral; fruity
Certified Food Grade Products
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Safety Information:
Preferred SDS: View
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
 
Pictogram
 
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 2-phenyl propyl isobutyrate usage levels up to:
  4.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.60 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.05 (μg/capita/day)
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: --
beverages(nonalcoholic): -5.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -20.00000
fruit ices: -20.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -20.00000
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:
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):
Flavouring Group Evaluation 55 (FGE.55): Consideration of phenyl-substituted aliphatic alcohols and related aldehydes and esters evaluated by JECFA (63rd meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives evaluated by EFSA in FGE.15 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf
EPI System: View
Env. Mutagen Info. Center: Search
EPA Substance Registry Services (TSCA): 65813-53-8
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 576240
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 2-phenylpropyl 2-methylpropanoate
Chemidplus: 0065813538
 [(2R)-2-phenylpropyl] 2-methylpropanoate
 [(2S)-2-phenylpropyl] 2-methylpropanoate
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References:
 2-phenylpropyl 2-methylpropanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 65813-53-8
Pubchem (cid): 576240
Pubchem (sid): 135267705
Pherobase: View
 [(2R)-2-phenylpropyl] 2-methylpropanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 65813-53-8
Pubchem (cid): 6951520
Pubchem (sid): 43559438
 [(2S)-2-phenylpropyl] 2-methylpropanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 65813-53-8
Pubchem (cid): 6951519
Pubchem (sid): 43559437
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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): HMDB34470
FooDB: FDB012880
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
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
No odor group found for these
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL/FR
balsamic
 benzyl cinnamateFL/FR
 cinnamyl formateFL/FR
citrus
2-heptanolFL/FR
fatty
 butyl undecylenateFL/FR
4-ethyl octanoic acidFL/FR
fermented
 methyl decanoateFL/FR
floral
 acetal 318FR
isoamyl angelateFL/FR
alpha-amyl cinnamaldehydeFL/FR
 benzyl acetateFL/FR
 benzyl acetoacetateFL/FR
 benzyl formateFL/FR
 citronellyl butyrateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 geraniolFL/FR
 menthadienyl formateFR
 methoxymelonalFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
3-nonanon-1-yl acetateFL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 petitgrain lemon oilFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
1-phenyl propyl butyrateFL/FR
4-phenyl-3-buten-2-olFL/FR
isopropyl benzoateFL/FR
 rose undeceneFR
 star fruit oil cubaFL/FR
 terpinyl valerateFL/FR
 tetrahydroionyl acetateFR
fruity
 benzaldehyde / methyl anthranilate schiff's baseFR
 berry hexanoateFR
isobutyl anthranilateFL/FR
isobutyl furyl propionateFL/FR
 citronellyl isobutyrateFL/FR
beta-damasconeFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
 eriocephalus punctulatus flower oilFR
 ethyl levulinateFL/FR
 heptyl isobutyrateFL/FR
3-mercaptohexyl acetateFL/FR
 methyl (Z)-3-hexenoateFL/FR
 methyl isobutyrateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
 rhubarb pyranFR
4-(para-tolyl)-2-butanoneFL/FR
 tropical iononeFL/FR
green
isoamyl 3-(2-furan) propionateFL/FR
 galbascone (IFF)FR
(Z)-3-hexen-1-yl isovalerateFL/FR
 hexoxyacetaldehyde dimethyl acetalFR
herbal
6-acetoxydihydrotheaspiraneFL/FR
 chamomile isobutyrateFR
 chamomile propionateFR
 chamomile valerateFR
 clary propyl acetateFR
 methyl cyclogeranateFR
powdery
alpha-methyl iononeFL/FR
spicy
para-anisyl formateFL/FR
 cadinadiene 
sulfurous
 mango thiolFL/FR
woody
2-decalinyl acetateFR
 
For Flavor
 
No flavor group found for these
6-acetoxydihydrotheaspiraneFL/FR
1-acetyl cyclohexyl acetateFL
 amyl angelateFL
isoamyl angelateFL/FR
2-butyl thiopheneFL
 cadinadiene 
 cinnamyl formateFL/FR
(Z)-beta-damasconeFL/FR
2,4-difurfuryl furanFL
S-(2,5-dimethyl-3-furyl) ethane thioateFL
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
3-nonanon-1-yl acetateFL/FR
1-phenyl propyl butyrateFL/FR
isopropyl benzoateFL/FR
aromatic
 dimethyl benzyl carbinyl acetateFL/FR
berry
 heptyl isobutyrateFL/FR
burnt
 ethyl 2-furoateFL
citrus
 petitgrain lemon oilFL/FR
ethereal
 methyl isobutyrateFL/FR
fatty
 butyl undecylenateFL/FR
4-ethyl octanoic acidFL/FR
 methyl decanoateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
floral
 benzyl acetoacetateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
 dihydrojasmoneFL/FR
 geraniolFL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 tropical iononeFL/FR
fruity
 benzyl acetateFL/FR
 benzyl formateFL/FR
isobutyl anthranilateFL/FR
isobutyl furyl propionateFL/FR
 citronellyl butyrateFL/FR
 citronellyl isobutyrateFL/FR
 ethyl levulinateFL/FR
2-heptanolFL/FR
2-hexyl-4-acetoxytetrahydrofuranFL
 methoxymelonalFL/FR
 methyl (Z)-3-hexenoateFL/FR
 methyl 4-phenyl butyrateFL
 phenethyl isovalerateFL/FR
2-phenyl-4-pentenalFL
 star fruit oil cubaFL/FR
 terpinyl valerateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
green
isoamyl 3-(2-furan) propionateFL/FR
beta-damasconeFL/FR
(E)-beta-damasconeFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
honey
 phenethyl isobutyrateFL/FR
leafy
(E)-citronellyl tiglateFL/FR
spicy
para-anisyl formateFL/FR
 benzyl cinnamateFL/FR
sulfurous
 mango thiolFL/FR
tropical
alpha-amyl cinnamaldehydeFL/FR
3-mercaptohexyl acetateFL/FR
waxy
alpha-methyl iononeFL/FR
4-phenyl-3-buten-2-olFL/FR
woody
 methyl ionyl acetateFL/FR
 
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Potential Uses:
 apricotFR
 floralFR
 hovenia 
 peachFR
 plumFR
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Occurrence (nature, food, other): note
 found in nature
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Synonyms:
 hydratropyl 2-methyl propanoate
 hydratropyl isobutyrate
beta-methyl phenethyl isobutyrate
beta-methyl phenyl ethyl isobutyrate
2-methyl propanoic acid 2-phenyl propyl ester
2-methyl-2-phenyl ethyl 2-methyl propanoate
2-methyl-2-phenylethyl 2-methylpropanoate
beta-methylphenethyl isobutyrate
2-methylpropanoic acid 2-phenylpropyl ester
2-phenyl propyl 2-methyl propanoate
alpha-phenyl propyl alcohol isobutyric ester
2-phenylpropyl 2-methylpropanoate
2-phenylpropyl isobutyrate
2-phenylpropylisobutyrate
 propanoic acid, 2-methyl-, 2-phenylpropyl ester
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