EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

2-phenyl propyl butyrate
2-phenylpropyl butyrate

Sponsors

CAS Number: 80866-83-7Picture of molecule3D/inchi
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)
CAS Number: 80866-83-7 (R)Picture of molecule3D/inchi
XlogP3-AA:3.20 (est)
Molecular Weight:206.28486000
Formula:C13 H18 O2
NMR Predictor:Predict (works with chrome or firefox)
CAS Number: 80866-83-7 (S)Picture of molecule3D/inchi
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
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:No longer provide for the use of these seven synthetic flavoring substances
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.
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.98800 to 0.99400 @ 25.00 °C.
Pounds per Gallon - (est).: 8.221 to 8.271
Refractive Index:1.48500 to 1.49100 @ 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
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium
sweet fruity rummy apricot
Odor Description:at 100.00 %. sweet fruity rum apricot
Flavor Type: spicy
spicy peppery pepper black pepper vegetable
Taste Description: spicy black pepper vegetable
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
2-Phenyl-1-propyl butyrate
BOC Sciences
For experimental / research use only.
2-Phenylpropyl Butyrate 95%
Parchem
2-phenyl propyl butyrate
Penta International
2-PHENYLPROPYL BUTYRATE, Kosher
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Phenylpropyl Butyrate 98%
Synerzine
2-Phenylpropyl Butyrate
 
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
 
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
 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: --
 
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
 
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
 
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
 
Potential Blenders and core components note
For Odor
balsamic
iso
amyl pyruvate
FL/FR
3-
phenyl propyl cinnamate
FL/FR
caramellic
ethyl cyclopentenolone
FL/FR
maltyl isobutyrate
FL/FR
ethereal
decyl propionate
FL/FR
ethyl pyruvate
FL/FR
1-
hexen-3-ol
FL/FR
(E)-
methyl tiglate
FL/FR
propyl formate
FL/FR
fermented
iso
butyl decanoate
FL/FR
ethyl (E)-2-crotonate
FL/FR
ethyl crotonate
FL/FR
floral
butyl nonanoate
FL/FR
citronellyl formate
FL/FR
ethyl hydrocinnamate
FL/FR
geranyl isobutyrate
FL/FR
heptyl propionate
FL/FR
jasmin lactone (IFF)
FL/FR
linalyl propionate
FL/FR
phenethyl acetate
FL/FR
phenethyl heptanoate
FL/FR
phenethyl isovalerate
FL/FR
1-
phenyl propyl butyrate
FL/FR
fruity
allyl hexanoate
FL/FR
allyl propionate
FL/FR
iso
amyl butyrate
FL/FR
amyl isobutyrate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl nonanoate
FL/FR
amyl propionate
FL/FR
apricot isobutyrate
FR
benzyl butyrate
FL/FR
benzyl heptanoate
FL/FR
berry pentadienoate
FL/FR
butyl 2-decenoate
FL/FR
iso
butyl butyrate
FL/FR
butyl formate
FL/FR
cyclohexanone diethyl acetal
FL/FR
decen-1-yl cyclopentanone
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
ethyl (E)-3-hexenoate
FL/FR
ethyl 2-hexenoate
FL/FR
ethyl heptanoate
FL/FR
ethyl propionate
FL/FR
fruity carboxylate
FR
fruity cyclopentanone
FR
heptyl isobutyrate
FL/FR
3-
hexanone
FL/FR
linalyl valerate
FL/FR
methyl propionate
FL/FR
peach cyclopentanone
FR
prenyl formate
FL/FR
propyl butyrate
FL/FR
propyl isobutyrate
FL/FR
styryl acetate
FL/FR
tetrahydrofurfuryl acetate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
green
benzyl hexanoate
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal dimethyl acetal
FL/FR
heptyl acetate
FL/FR
(E)-2-
hexen-1-yl formate
FL/FR
(E)-2-
hexen-1-yl phenyl acetate
FL/FR
herbal
linalyl isovalerate
FL/FR
viridiflorol
FL/FR
honey
allyl phenyl acetate
FL/FR
propyl phenyl acetate
FL/FR
jammy
ethyl 2-methyl-2-pentenoate
FR
spicy
beta-
caryophyllene
FL/FR
caryophyllene
FL/FR
sulfurous
buchu mercaptan
FL/FR
cassis pentanone
FL/FR
passiflora acetate
FL/FR
waxy
ethyl nonanoate
FL/FR
ethyl octanoate
FL/FR
For Flavor
No flavor group found for these
allyl cyclohexyl valerate
FL
amyl isobutyrate
FL/FR
amyl propionate
FL/FR
iso
amyl pyruvate
FL/FR
benzyl heptanoate
FL/FR
benzyl hexanoate
FL/FR
iso
butyl decanoate
FL/FR
butyl formate
FL/FR
butyl nonanoate
FL/FR
cyclohexanone diethyl acetal
FL/FR
decyl propionate
FL/FR
ethyl 2-hexenoate
FL/FR
ethyl hydrocinnamate
FL/FR
(E)-2-
hexen-1-yl phenyl acetate
FL/FR
jasmin lactone (IFF)
FL/FR
linalyl valerate
FL/FR
(E)-
methyl tiglate
FL/FR
phenethyl heptanoate
FL/FR
1-
phenyl propyl butyrate
FL/FR
prenyl formate
FL/FR
styryl acetate
FL/FR
viridiflorol
FL/FR
alliaceous
alliaceous
allyl propionate
FL/FR
berry
heptyl isobutyrate
FL/FR
brown
tetrahydrofurfuryl acetate
FL/FR
caramellic
pyruvaldehyde
FL
creamy
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
earthy
1-
hexen-3-yl acetate
FL
floral
geranyl isobutyrate
FL/FR
fruity
allyl hexanoate
FL/FR
iso
amyl isobutyrate
FL/FR
benzyl butyrate
FL/FR
berry pentadienoate
FL/FR
butyl 2-decenoate
FL/FR
iso
butyl butyrate
FL/FR
citronellyl formate
FL/FR
decen-1-yl cyclopentanone
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
ethyl (E)-3-hexenoate
FL/FR
ethyl heptanoate
FL/FR
ethyl propionate
FL/FR
2-
furyl pentyl ketone
FL
heptyl propionate
FL/FR
3-
hexanone
FL/FR
linalyl isovalerate
FL/FR
methyl propionate
FL/FR
phenethyl isovalerate
FL/FR
propyl butyrate
FL/FR
propyl formate
FL/FR
propyl isobutyrate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
green
cassis pentanone
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal dimethyl acetal
FL/FR
heptyl acetate
FL/FR
1-
hexen-3-ol
FL/FR
herbal
linalyl propionate
FL/FR
honey
allyl phenyl acetate
FL/FR
phenethyl acetate
FL/FR
propyl phenyl acetate
FL/FR
jammy
ethyl cyclopentenolone
FL/FR
maltyl isobutyrate
FL/FR
musty
ethyl (E)-2-crotonate
FL/FR
rummy
ethyl crotonate
FL/FR
ethyl pyruvate
FL/FR
(E)-2-
hexen-1-yl formate
FL/FR
spicy
beta-
caryophyllene
FL/FR
caryophyllene
FL/FR
chipotle chili distillates
FL
chipotle chili oleoresin
FL
jalapeno oleoresin
FL
3-
phenyl propyl cinnamate
FL/FR
sulfurous
buchu mercaptan
FL/FR
methyl 2-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
tropical
passiflora acetate
FL/FR
waxy
iso
amyl butyrate
FL/FR
ethyl nonanoate
FL/FR
ethyl octanoate
FL/FR
winey
iso
amyl nonanoate
FL/FR
 
Potential Uses:
FRapricot
FRhyacinth
FRjasmin
FRmango
FRpeach
FRplum
FRrose
 
Occurrence (nature, food, other):note
 found in nature
 
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
 
 
Notes:
Flavouring ingredient
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy