2-phenyl propyl butyrate
2-phenylpropyl butyrate
 
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
      News
      Product(s):
      10131 2-Phenyl-1-propyl butyrate
       
  • CTC Organics
    • CTC Organics
      For More Than 40 Year
      Your source for rare aroma chemicals for the flavor and fragrance industy.
      “The world is run by middle men.” The number of times I have heard Dr. Liu utter those words are innumerable. He loved reciting and recording famous quotes and had many of his own. Among his many talents, Dr. Liu had a unique genius in the area of chemistry. He had an uncanny understanding of the pulse of the chemical industry and was a superb salesman.
      US Email: Customer Service
      US Voice: (404) 524-6744
      US Fax: (404) 577-1651
      Resources
      History
      Product(s):
      W1713 2-phenylpropyl butyrate
       
  • 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
      Product(s):
      16-45000 2-PHENYLPROPYL BUTYRATE, Kosher
       
Synonyms   Articles   Notes   Search
2-phenylpropyl butanoate (Click)
CAS Number: 80866-83-7Picture of molecule
ECHA EINECS - REACH Pre-Reg: 279-587-2
FDA UNII: 38G1J8241Q
Nikkaji Web: J149.941F
MDL: MFCD00009393
CoE Number: 285
XlogP3-AA: 3.20 (est)
Molecular Weight: 206.28486000
Formula: C13 H18 O2
NMR Predictor: Predict (works with chrome or firefox)
[(2R)-2-phenylpropyl] butanoate (Click)
CAS Number: 80866-83-7  (R)Picture of molecule
XlogP3-AA: 3.20 (est)
Molecular Weight: 206.28486000
Formula: C13 H18 O2
NMR Predictor: Predict (works with chrome or firefox)
[(2S)-2-phenylpropyl] butanoate (Click)
CAS Number: 80866-83-7  (S)Picture of molecule
XlogP3-AA: 3.20 (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: 1469  2-phenylpropyl butyrate
Flavis Number: 09.057 (Old)
DG SANTE Food Flavourings: 09.057  2-phenylpropyl butyrate
FEMA Number: 2891  2-phenylpropyl butyrate
FDA Mainterm: 2-PHENYLPROPYL BUTYRATE
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: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.99100 @  25.00 °C.
Refractive Index: 1.48800 @  20.00 °C.
Boiling Point: 268.00 to  272.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.005000 mm/Hg @ 25.00 °C. (est)
Flash Point: > 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 3.671 (est)
Soluble in:
 alcohol
 water, 16.47 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: fruity
Odor Strength: medium
 sweet  fruity  rummy  apricot  
Odor Description:
at 100.00 %. 
sweet fruity rum apricot
 spicy  peppery  pepper black pepper  vegetable  
Taste Description:
spicy black pepper vegetable
  
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Cosmetic Information:
None found
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Suppliers:
Beijing Lys Chemicals
2-Phenyl-1-propyl butyrate
CTC Organics
2-phenylpropyl butyrate
Parchem
2-phenyl propyl butyrate
Penta International
2-PHENYLPROPYL BUTYRATE, Kosher
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Phenylpropyl Butyrate 98%
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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 butyrate usage levels up to:
  3.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0034 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.50 (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: -2.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.00000
fruit ices: -1.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -2.00000
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
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 576263
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 2-phenylpropyl butanoate
Chemidplus: 0080866837
 [(2R)-2-phenylpropyl] butanoate
 [(2S)-2-phenylpropyl] butanoate
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References:
 2-phenylpropyl butanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 80866-83-7
Pubchem (cid): 576263
Pubchem (sid): 10393788
Pherobase: View
 [(2R)-2-phenylpropyl] butanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 80866-83-7
Pubchem (cid): 7058090
Pubchem (sid): 43647337
 [(2S)-2-phenylpropyl] butanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 80866-83-7
Pubchem (cid): 7017232
Pubchem (sid): 43613801
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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): HMDB34469
FooDB: FDB012879
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
 
For Odor
balsamic
isoamyl pyruvateFL/FR
3-phenyl propyl cinnamateFL/FR
caramellic
 ethyl cyclopentenoloneFL/FR
 maltyl isobutyrateFL/FR
ethereal
 decyl propionateFL/FR
 ethyl pyruvateFL/FR
1-hexen-3-olFL/FR
(E)-methyl tiglateFL/FR
 propyl formateFL/FR
fermented
isobutyl decanoateFL/FR
 ethyl (E)-2-crotonateFL/FR
floral
 butyl nonanoateFL/FR
 citronellyl formateFL/FR
 ethyl hydrocinnamateFL/FR
 geranyl isobutyrateFL/FR
 heptyl propionateFL/FR
 jasmin lactone (IFF)FL/FR
 linalyl propionateFL/FR
 phenethyl acetateFL/FR
 phenethyl heptanoateFL/FR
 phenethyl isovalerateFL/FR
1-phenyl propyl butyrateFL/FR
 allyl hexanoateFL/FR
 allyl propionateFL/FR
isoamyl butyrateFL/FR
 amyl isobutyrateFL/FR
isoamyl isobutyrateFL/FR
isoamyl nonanoateFL/FR
 amyl propionateFL/FR
 apricot isobutyrateFR
 benzyl butyrateFL/FR
 benzyl heptanoateFL/FR
 berry pentadienoateFL/FR
 butyl 2-decenoateFL/FR
isobutyl butyrateFL/FR
 butyl formateFL/FR
 cyclohexanone diethyl acetalFL/FR
 decen-1-yl cyclopentanoneFL/FR
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
 ethyl heptanoateFL/FR
 ethyl propionateFL/FR
 fruity carboxylateFR
 fruity cyclopentanoneFR
 geranyl methyl tiglate 
 heptyl isobutyrateFL/FR
3-hexanoneFL/FR
 linalyl valerateFL/FR
 methyl propionateFL/FR
 peach cyclopentanoneFR
 prenyl formateFL/FR
 propyl butyrateFL/FR
 propyl isobutyrateFL/FR
 tetrahydrofurfuryl acetateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
green
 benzyl hexanoateFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 heptanal dimethyl acetalFL/FR
 heptyl acetateFL/FR
(E)-2-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl phenyl acetateFL/FR
herbal
 linalyl isovalerateFL/FR
 viridiflorolFL/FR
honey
 allyl phenyl acetateFL/FR
 propyl phenyl acetateFL/FR
jammy
 ethyl 2-methyl-2-pentenoateFR
sulfurous
 buchu mercaptanFL/FR
 cassis pentanoneFL/FR
 passiflora acetateFL/FR
waxy
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
 
For Flavor
 
No flavor group found for these
 allyl cyclohexyl valerateFL
 amyl isobutyrateFL/FR
 amyl propionateFL/FR
isoamyl pyruvateFL/FR
 benzyl heptanoateFL/FR
 benzyl hexanoateFL/FR
isobutyl decanoateFL/FR
 butyl formateFL/FR
 butyl nonanoateFL/FR
 cyclohexanone diethyl acetalFL/FR
 decyl propionateFL/FR
 ethyl hydrocinnamateFL/FR
(E)-2-hexen-1-yl phenyl acetateFL/FR
 jasmin lactone (IFF)FL/FR
 linalyl valerateFL/FR
 methyl propionateFL/FR
(E)-methyl tiglateFL/FR
 phenethyl heptanoateFL/FR
1-phenyl propyl butyrateFL/FR
3-phenyl propyl cinnamateFL/FR
 prenyl formateFL/FR
 viridiflorolFL/FR
alliaceous
 allyl propionateFL/FR
berry
 heptyl isobutyrateFL/FR
brown
 tetrahydrofurfuryl acetateFL/FR
caramellic
 maltyl isobutyrateFL/FR
 pyruvaldehydeFL
creamy
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
earthy
1-hexen-3-yl acetateFL
floral
 geranyl isobutyrateFL/FR
 linalyl propionateFL/FR
fruity
 allyl hexanoateFL/FR
isoamyl isobutyrateFL/FR
 benzyl butyrateFL/FR
 berry pentadienoateFL/FR
 butyl 2-decenoateFL/FR
isobutyl butyrateFL/FR
 citronellyl formateFL/FR
 decen-1-yl cyclopentanoneFL/FR
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
 ethyl heptanoateFL/FR
 ethyl propionateFL/FR
2-furyl pentyl ketoneFL
 geranyl methyl tiglate 
 heptyl propionateFL/FR
3-hexanoneFL/FR
 linalyl isovalerateFL/FR
 phenethyl isovalerateFL/FR
 propyl butyrateFL/FR
 propyl formateFL/FR
 propyl isobutyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
green
 cassis pentanoneFL/FR
 heptanal dimethyl acetalFL/FR
 heptyl acetateFL/FR
1-hexen-3-olFL/FR
honey
 allyl phenyl acetateFL/FR
 phenethyl acetateFL/FR
 propyl phenyl acetateFL/FR
jammy
 ethyl cyclopentenoloneFL/FR
juicy
 ethyl (E,Z)-2,4-decadienoateFL/FR
musty
 ethyl (E)-2-crotonateFL/FR
rummy
 ethyl pyruvateFL/FR
(E)-2-hexen-1-yl formateFL/FR
sulfurous
 buchu mercaptanFL/FR
 methyl 2-(methyl thio) butyrateFL
 methyl thiomethyl butyrateFL
tropical
 passiflora acetateFL/FR
waxy
isoamyl butyrateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
winey
isoamyl nonanoateFL/FR
 
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Potential Uses:
 apricotFR
 hyacinth jacintheFR
 jasminFR
 mangoFR
 peachFR
 plumFR
 roseFR
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Occurrence (nature, food, other): note
 found in nature
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Synonyms:
 butanoic acid 2-phenyl propyl ester
 butanoic acid, 2-phenylpropyl ester
 butyric acid 2-phenylpropyl ester
 hydratropyl butyrate
beta-methyl phenethyl butyrate
beta-methylphenethyl butyrate
alpha-phenyl propyl alcohol butyric ester
2-phenyl propyl butanoate
2-phenyl-1-propyl butyrate
a-phenylpropyl alcohol butyric ester
2-phenylpropyl butanoate
2-phenylpropyl butyrate
2-phenylpropyl n-butyrate
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