4-phenyl-2-butyl acetate
1-methyl-3-phenylpropyl acetate
 
Notes:
Flavouring ingredient Used as a food additive [EAFUS]
  • Alfrebro
    • Alfrebro LLC
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      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.
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      4-PHENYL-2-BUTYL ACETATE
       
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4-phenylbutan-2-yl acetate (Click)
CAS Number: 10415-88-0Picture of molecule
Other: 59960-25-7
ECHA EINECS - REACH Pre-Reg: 233-890-6
FDA UNII: 7BV1134YBV
Nikkaji Web: J236.816A
MDL: MFCD00026203
CoE Number: 671
XlogP3-AA: 2.90 (est)
Molecular Weight: 192.25792000
Formula: C12 H16 O2
NMR Predictor: Predict (works with chrome or firefox)
[(2R)-4-phenylbutan-2-yl] acetate (Click)
CAS Number: 129098-41-5Picture of molecule
Nikkaji Web: J1.309.623F
XlogP3-AA: 2.90 (est)
Molecular Weight: 192.25792000
Formula: C12 H16 O2
NMR Predictor: Predict (works with chrome or firefox)
4-[(2S)-4-phenylbutan-2-yl] acetate (Click)
CAS Number: 10415-88-0  (S)Picture of molecule
XlogP3-AA: 2.90 (est)
Molecular Weight: 192.25792000
Formula: C12 H16 O2
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: Racemate.
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: 816  4-phenyl-2-butyl acetate
Flavis Number: 09.200 (Old)
DG SANTE Food Flavourings: 09.200  1-methyl-3-phenylpropyl acetate
FEMA Number: 2882  4-phenyl-2-butyl acetate
FDA Mainterm: 4-PHENYL-2-BUTYL ACETATE
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 oily liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.97500 to 0.98000 @  25.00 °C.
Pounds per Gallon - (est).: 8.113 to  8.155
Refractive Index: 1.49800 to 1.50500 @  20.00 °C.
Boiling Point: 123.00 to  124.00 °C. @ 13.00 mm Hg
Boiling Point: 130.00 °C. @ 15.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.005000 mm/Hg @ 25.00 °C. (est)
Flash Point: 235.00 °F. TCC ( 112.78 °C. )
logP (o/w): 3.200 (est)
Soluble in:
 alcohol
 water, 51.02 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: fruity
Odor Strength: medium
 green  fruity  
Odor Description:
at 100.00 %. 
green fruit
  
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Cosmetic Information:
None found
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Suppliers:
Alfrebro
4-PHENYL-2-BUTYL ACETATE
Odor: Mild, Green, Fruity, Sweet
BOC Sciences
For experimental / research use only.
4-Phenyl-2-butyl acetate
Parchem
4-phenyl-2-butyl acetate
Sigma-Aldrich: Aldrich
For experimental / research use only.
1-Methyl-3-phenylpropyl Acetate
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Safety Information:
Preferred SDS: View
 
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 4-phenyl-2-butyl acetate usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 6.10 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 7.00 (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: 0.500003.00000
beverages(nonalcoholic): 0.100003.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -3.00000
fruit ices: -3.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -3.00000
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: --
Synonyms   Articles   Notes   Search   Top
Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of aromatic substituted secondary alcohols, ketones, and related esters 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 16 (FGE.16): Aromatic ketones from chemical group 21 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf
Flavouring Group Evaluation 16, Revision 1 (FGE.16Rev1)[1]: Aromatic ketones from chemical group 21- Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
Flavouring Group Evaluation 69, (FGE.69)[1] - Consideration of aromatic substituted secondary alcohols, ketones and related esters evaluated by JECFA (57th meeting) structurally related to aromatic ketones from chemical group 21 evaluated by EFSA in FGE.16 (2006) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
Flavouring Group Evaluation 16, Revision 2 (FGE.16Rev2): Aromatic ketones from chemical group 21
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 96 (FGE.96): Consideration of 88 flavouring substances considered by EFSA for which EU production volumes / anticipated production volumes have been submitted on request by DG SANCO. Addendum to FGE. 51, 52, 53, 54, 56, 58, 61, 62, 63, 64, 68, 69, 70, 71, 73, 76, 77, 79, 80, 83, 84, 85 and 87.
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 10415-88-0
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 61517
National Institute of Allergy and Infectious Diseases: Data
 4-phenylbutan-2-yl acetate
Chemidplus: 0010415880
 [(2R)-4-phenylbutan-2-yl] acetate
 4-[(2S)-4-phenylbutan-2-yl] acetate
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References:
 4-phenylbutan-2-yl acetate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 10415-88-0
Pubchem (cid): 61517
Pubchem (sid): 135017891
 [(2R)-4-phenylbutan-2-yl] acetate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 129098-41-5
Pubchem (cid): 6950760
Pubchem (sid): 43558769
 4-[(2S)-4-phenylbutan-2-yl] acetate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 10415-88-0
Pubchem (cid): 6950759
Pubchem (sid): 43558768
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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): HMDB31614
FooDB: FDB010071
Export Tariff Code: 2915.39.9050
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)-tiglaldehydeFL/FR
animal
para-cresyl isobutyrateFL/FR
balsamic
isoamyl benzoateFL/FR
 fir carboxylateFR
citrus
2-heptanolFL/FR
fatty
3-decen-2-oneFL/FR
 hexyl pivalateFR
 methyl (E)-2-hexenoateFL/FR
 methyl 2-hexenoateFL/FR
fermented
3-methyl-1-pentanolFL/FR
floral
alpha-amyl cinnamaldehyde diethyl acetalFR
 boronia absoluteFL/FR
 citronellyl propionateFL/FR
gamma-damasconeFR
6,8-dimethyl-2-nonanolFR
(E)-geranyl acetoneFL/FR
 lily propanolFR
 papaya isobutyrateFL/FR
fresh
 sorbyl isobutyrateFL/FR
fruity
 acetaldehyde dihexyl acetalFL/FR
 allyl amyl glycolateFR
 allyl butyrateFL/FR
isoamyl butyrateFL/FR
 amyl hexanoateFL/FR
isoamyl isovalerateFL/FR
isoamyl octanoateFL/FR
 berry pentadienoateFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-octenoateFL/FR
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 geranyl isovalerateFL/FR
 heptanal cyclic ethylene acetalFR
 heptyl isobutyrateFL/FR
 hexanal propylene glycol acetalFL/FR
2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl 2-methyl-2-pentenoateFR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl acetateFL/FR
 hexyl isovalerateFL/FR
 hexyl propionateFL/FR
 linalyl hexanoateFL/FR
 methyl 3-nonenoateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
 methyl heptanoateFL/FR
 methyl valerateFL/FR
 nerolidyl isobutyrateFR
 octen-1-yl cyclopentanoneFL/FR
2-pentyl furanFL/FR
4-phenyl-2-butyl acetateFL/FR
 pineapple pentenoateFL/FR
 prenolFL/FR
 prenyl ethyl etherFL/FR
 prenyl hexanoateFL/FR
isopropyl 2-methyl butyrateFL/FR
 rhubarb undecaneFR
 tetrahydrofurfuryl butyrateFL/FR
 tropical indeneFR
 tropical thiazoleFL/FR
green
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 acetaldehyde methyl hexyl acetalFR
isoamyl formateFL/FR
 butyl 2-methyl butyrateFL/FR
 cognac heptanoneFL/FR
alpha-decalactoneFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-4-decenoateFL/FR
 green dioxolaneFR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl formateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
2-hexenyl acetateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl octanoateFL/FR
2-methyl valeraldehydeFL/FR
(E)-2-pentenalFL/FR
 phenoxyethyl isobutyrateFL/FR
alpha-isopropyl phenyl acetaldehydeFL/FR
 thiogeraniolFL/FR
 violet dienyneFR
herbal
 tricyclodecyl acetateFR
minty
beta-cyclocitralFL/FR
sulfurous
 buchu mercaptanFL/FR
waxy
9-decenoic acidFL/FR
(E,E)-2,4-dodecadien-1-ol 
(E)-methyl geranateFL/FR
 octyl 2-methyl butyrateFL/FR
woody
 verdoxanFR
 woody acetateFR
 
For Flavor
 
No flavor group found for these
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 acetaldehyde dihexyl acetalFL/FR
 allyl tiglateFL
 butyl 2-methyl butyrateFL/FR
beta-cyclocitralFL/FR
2-cyclopentyl cyclopentanoneFL/FR
alpha-decalactoneFL/FR
(E,E)-2,4-dodecadien-1-ol 
 ethyl 3-acetoxyhexanoateFL/FR
(E,E)-2,4-heptadien-1-olFL
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
2-hexenalFL
2-hexenal diethyl acetalFL
2-hexenyl acetateFL/FR
 hexyl (E)-2-hexenoateFL
 hexyl propionateFL/FR
 linalyl hexanoateFL/FR
 methyl (E)-2-hexenoateFL/FR
 methyl 2-hexenoateFL/FR
 methyl 4-pentenoateFL
(E)-methyl geranateFL/FR
2-methyl-2-octenalFL
(E)-2-methyl-2-octenalFL
3-methyl-3-pentanolFL
(E,E)-3,5-octadien-2-oneFL
4-phenyl-2-butyl acetateFL/FR
 prenyl ethyl etherFL/FR
 prenyl hexanoateFL/FR
alpha-isopropyl phenyl acetaldehydeFL/FR
(E)-tiglaldehydeFL/FR
alliaceous
 tropical thiazoleFL/FR
aromatic
para-cresyl isobutyrateFL/FR
berry
 heptyl isobutyrateFL/FR
cinnamon
 sorbyl isobutyrateFL/FR
citrus
 cognac heptanoneFL/FR
earthy
1-hexen-3-yl acetateFL
estery
 ethyl acetoacetateFL/FR
fatty
3-decen-2-oneFL/FR
 ethyl (E)-4-decenoateFL/FR
floral
 citronellyl propionateFL/FR
(E)-geranyl acetoneFL/FR
 papaya isobutyrateFL/FR
fruity
isoamyl benzoateFL/FR
 amyl hexanoateFL/FR
isoamyl octanoateFL/FR
 berry pentadienoateFL/FR
 boronia absoluteFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-2-octenoateFL
 ethyl 2-octenoateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 furfuryl propionateFL
2-heptanolFL/FR
 hexanal propylene glycol acetalFL/FR
2-hexen-1-olFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(E)-2-hexenal diethyl acetalFL
 hexyl acetateFL/FR
 methyl (E)-3-nonenoateFL
 methyl 3-nonenoateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
 methyl heptanoateFL/FR
 methyl valerateFL/FR
 octen-1-yl cyclopentanoneFL/FR
 pineapple pentenoateFL/FR
 prenolFL/FR
isopropyl 2-methyl butyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
green
 allyl butyrateFL/FR
isoamyl formateFL/FR
isoamyl isovalerateFL/FR
 geranyl isovalerateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 hexyl octanoateFL/FR
 methyl 2-undecynoateFL
2-methyl valeraldehydeFL/FR
(E)-2-pentenalFL/FR
2-pentyl furanFL/FR
 phenoxyethyl isobutyrateFL/FR
minty
 thiogeraniolFL/FR
rummy
(E)-2-hexen-1-yl formateFL/FR
sour
3-methyl valeric acidFL
sulfurous
 buchu mercaptanFL/FR
waxy
isoamyl butyrateFL/FR
9-decenoic acidFL/FR
 octyl 2-methyl butyrateFL/FR
whiskey
3-methyl-1-pentanolFL/FR
 
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Potential Uses:
 fruit tropical fruit 
 greenFR
 heatherFR
 tropicalFL
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Occurrence (nature, food, other): note
 tea green tea
Search  Picture
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Synonyms:
 benzenepropanol, a-methyl-, acetate
2-butanol, 4-phenyl-, acetate
alpha-methyl benzene propanol acetate
1-methyl-3-phenylpropyl acetate
a-methylbenzenepropanol acetate
4-phenyl but-2-yl acetate
 phenyl ethyl methyl carbinyl acetate
4-phenyl-2-butanol acetate
1-phenyl-3-acetoxybutane
4-phenylbut-2-yl acetate
4-phenylbutan-2-yl acetate
 phenylethyl methyl carbinyl acetate
 phenylpropanol, a-methyl, acetate
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