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BT
 

3-phenyl propyl isovalerate
3-phenylpropyl isovalerate

Sponsors

Name:3-phenylpropyl 3-methylbutanoate
CAS Number: 5452-07-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:226-692-6
FDA UNII:9UT5Q9TKW9
Nikkaji Web:J183.052J
MDL:MFCD00213800
CoE Number:462
XlogP3:3.80 (est)
Molecular Weight:220.31180000
Formula:C14 H20 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
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 Mainterm: 3-PHENYLPROPYL ISOVALERATE
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: 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)
Soluble in:
 alcohol
 water, very slightly
 water, 5.295 mg/L @ 25 °C (est)
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
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium
strawberry raspberry plum
Odor Description:at 100.00 %. strawberry raspberry plum
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Alfrebro
3-PHENYL PROPYL ISOVALERATE NATURAL
Odor: Fruity, Strawberry, Raspberry, Plum
BOC Sciences
For experimental / research use only.
3-Phenylpropyl Isovalerate
Grau Aromatics
PHENYL-3-PROPYL-iso-VALERATE
NI, Kosher
Inoue Perfumery
3-PHENYLPROPYL ISOVALERATE
Lluch Essence
3-PHENYL PROPYL ISOVALERATE
Parchem
3-phenyl propyl isovalerate
Penta International
3-PHENYLPROPYL ISOVALERATE, Kosher
SRS Aromatics
PHENYL 3 PROPYL ISO VALERATE
Synerzine
3-Phenylpropyl Isovalerate
 
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
 
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 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
 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: --
 
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):
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
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62578
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3-phenylpropyl 3-methylbutanoate
Chemidplus:0005452073
 
References:
 3-phenylpropyl 3-methylbutanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:5452-07-3
Pubchem (cid):62578
Pubchem (sid):135021010
 
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
FooDB:FDB015267
Export Tariff Code:2915.60.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
cinnamyl valerate
FL/FR
acidic
acidic
2-
methyl-2-pentenoic acid
FL/FR
animal
para-
cresyl butyrate
FL/FR
anisic
para-
anisaldehyde
FL/FR
para-
anisyl propanal
FR
balsamic
benzyl benzoate
FL/FR
benzyl cinnamate
FL/FR
dextro,laevo-
borneol
FL/FR
bornyl acetate
FL/FR
cinnamyl alcohol
FL/FR
conifer acetate
FR
ethyl cinnamate
FL/FR
guaiyl butyrate
FR
methyl (E)-cinnamate
FL/FR
methyl cinnamate
FL/FR
terpinyl butyrate
FL/FR
berry
raspberry ketone
FL/FR
raspberry ketone acetate
FL/FR
raspberry ketone methyl ether
FL/FR
burnt
rum ether
FL/FR
buttery
acetoin
FL/FR
caramellic
ethyl maltol
FL/FR
maltol
FL/FR
maltyl isobutyrate
FL/FR
strawberry furanone
FL/FR
citrus
lemon oil c.p. california
FL/FR
ethereal
ethyl acetate
FL/FR
ethyl formate
FL/FR
iso
propyl formate
FL/FR
propyl formate
FL/FR
fatty
methyl 2-hexenoate
FL/FR
fermented
valeraldehyde
FL/FR
floral
iso
amyl salicylate
FL/FR
para-
anisyl butyrate
FL/FR
benzyl acetate
FL/FR
benzyl isobutyrate
FL/FR
iso
butyl salicylate
FL/FR
citronellol
FL/FR
citronellyl formate
FL/FR
citronellyl propionate
FL/FR
cyclohexyl ethyl acetate
FL/FR
beta-
damascenone
FL/FR
dihydro-alpha-ionone
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
ethyl anthranilate
FL/FR
ethyl ortho-anisate
FL/FR
ethyl phenyl acetate
FL/FR
geraniol
FL/FR
geranyl formate
FL/FR
heliotropin
FL/FR
heliotropyl acetate
FL/FR
heliotropyl acetone
FL/FR
hyacinth ether
FR
beta-
ionyl acetate
FL/FR
iso
jasmone
FL/FR
para-
methyl acetophenone
FL/FR
nerol
FL/FR
neroli oil bigarde
FL/FR
nerolidol
FL/FR
nerolin fragarol
FL/FR
octyl acetate
FL/FR
orris rhizome absolute (iris pallida)
FL/FR
petitgrain mandarin oil
FL/FR
phenethyl acetate
FL/FR
phenethyl alcohol
FL/FR
phenethyl benzoate
FL/FR
phenethyl butyrate
FL/FR
phenethyl isobutyrate
FL/FR
phenethyl propionate
FL/FR
1-
phenyl propyl butyrate
FL/FR
propyl salicylate
FR
rhodinol
FL/FR
rhodinyl acetate
FL/FR
rose absolute (rosa damascena) bulgaria
FL/FR
terpinyl valerate
FL/FR
fruity
acetyl methyl anthranilate
FL/FR
iso
amyl acetate
FL/FR
iso
amyl butyrate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl isovalerate
FL/FR
iso
amyl propionate
FL/FR
amyl valerate
FL/FR
apple crotonate
FR
apricot isobutyrate
FR
benzaldehyde
FL/FR
benzyl butyrate
FL/FR
3-
benzyl-4-heptanone
FL/FR
berry hexanoate
FR
berry pentadienoate
FL/FR
butyl 2-naphthyl ether
FL/FR
butyl anthranilate
FL/FR
butyl formate
FL/FR
iso
butyl isovalerate
FL/FR
butyl valerate
FL/FR
iso
butyl-3-(methyl thio) butyrate
FL/FR
cinnamyl isobutyrate
FL/FR
cyclohexyl butyrate
FL/FR
cyclohexyl isovalerate
FL/FR
(E)-beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
beta-
damascone
FL/FR
gamma-
decalactone
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
ethyl 4-phenyl butyrate
FL/FR
ethyl acetoacetate
FL/FR
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
ethyl lactate
FL/FR
ethyl propionate
FL/FR
ethyl valerate
FL/FR
fruity ketal
FL/FR
geranyl butyrate
FL/FR
(E)-2-
hexen-1-ol
FL/FR
hexyl acetate
FL/FR
hexyl formate
FL/FR
hexyl isovalerate
FL/FR
leather propionate
FR
maltyl butyrate
FL/FR
methyl anthranilate
FL/FR
methyl propionate
FL/FR
(E)-2-
methyl-2-pentenoic acid
FL/FR
neryl isobutyrate
FL/FR
octyl propionate
FL/FR
phenyl propyl valerate
FL/FR
plum crotonate
FR
propyl acetate
FL/FR
iso
propyl butyrate
FL/FR
propyl heptanoate
FL/FR
propyl isobutyrate
FL/FR
iso
propyl isobutyrate
FL/FR
iso
propyl propionate
FL/FR
prune glycidate
FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
strawberry glycidate 2
FL/FR
(S)-
styralyl acetate
FL/FR
para-
tolualdehyde
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
green
acetaldehyde methyl hexyl acetal
FR
iso
amyl formate
FL/FR
diphenyl methane
FL/FR
heptyl formate
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
methyl heptine carbonate
FL/FR
styralyl acetate
FL/FR
herbal
(S)-
campholene acetate
FL/FR
herbal undecanone
FR
hexanol
FL/FR
melon
watermelon ketone
FR
minty
ethyl benzoate
FL/FR
ethyl salicylate
FL/FR
methyl salicylate
FL/FR
naphthyl
beta-
naphthyl ethyl ether
FL/FR
beta-
naphthyl methyl ether
FL/FR
phenolic
methyl benzoate
FL/FR
powdery
para-
anisyl acetate
FL/FR
spicy
cinnamaldehyde
FL/FR
cinnamon bark oil ceylon
FL/FR
cinnamyl isovalerate
FL/FR
cuminaldehyde
FL/FR
cuminyl alcohol
FL/FR
methyl isoeugenol
FL/FR
terpenic
alpha-
terpineol
FL/FR
vanilla
ethyl vanillin
FL/FR
vanillin
FL/FR
waxy
ethyl nonanoate
FL/FR
For Flavor
No flavor group found for these
amyl valerate
FL/FR
dextro,laevo-
borneol
FL/FR
butyl 2-naphthyl ether
FL/FR
butyl formate
FL/FR
iso
butyl-3-(methyl thio) butyrate
FL/FR
cinnamyl valerate
FL/FR
para-
cresyl butyrate
FL/FR
cyclohexyl butyrate
FL/FR
ethyl 4-phenyl butyrate
FL/FR
ethyl ortho-anisate
FL/FR
2-
hexenal
FL
methyl (E)-cinnamate
FL/FR
methyl 2-hexenoate
FL/FR
(E)-2-
methyl-2-pentenoic acid
FL/FR
1-
phenyl propyl butyrate
FL/FR
phenyl propyl valerate
FL/FR
iso
propyl isobutyrate
FL/FR
rose absolute (rosa damascena) bulgaria
FL/FR
(S)-
styralyl acetate
FL/FR
terpinyl butyrate
FL/FR
beta-
damascone
FL/FR
anisic
anisic
para-
anisyl butyrate
FL/FR
balsamic
benzyl benzoate
FL/FR
ethyl cinnamate
FL/FR
berry
dihydro-alpha-ionone
FL/FR
heliotropyl acetone
FL/FR
maltyl butyrate
FL/FR
raspberry ketone
FL/FR
raspberry ketone acetate
FL/FR
raspberry ketone methyl ether
FL/FR
burnt
rum ether
FL/FR
buttery
diacetyl
FL
camphoreous
bornyl acetate
FL/FR
caramellic
ethyl maltol
FL/FR
maltol
FL/FR
strawberry furanone
FL/FR
cherry
heliotropin
FL/FR
citrus
lemon oil c.p. california
FL/FR
nerol
FL/FR
petitgrain mandarin oil
FL/FR
alpha-
terpineol
FL/FR
cooling
iso
butyl salicylate
FL/FR
creamy
acetoin
FL/FR
para-
anisaldehyde
FL/FR
para-
methyl acetophenone
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
estery
ethyl acetoacetate
FL/FR
octyl propionate
FL/FR
propyl acetate
FL/FR
ethereal
ethyl acetate
FL/FR
ethyl formate
FL/FR
fatty
heptyl formate
FL/FR
floral
citronellol
FL/FR
citronellyl propionate
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
geraniol
FL/FR
heliotropyl acetate
FL/FR
neroli oil bigarde
FL/FR
phenethyl alcohol
FL/FR
phenethyl benzoate
FL/FR
phenethyl propionate
FL/FR
rhodinol
FL/FR
rhodinyl acetate
FL/FR
fruity
acetyl methyl anthranilate
FL/FR
iso
amyl acetate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl propionate
FL/FR
para-
anisyl acetate
FL/FR
benzaldehyde
FL/FR
benzyl acetate
FL/FR
benzyl butyrate
FL/FR
benzyl isobutyrate
FL/FR
3-
benzyl-4-heptanone
FL/FR
berry pentadienoate
FL/FR
butyl anthranilate
FL/FR
butyl valerate
FL/FR
cinnamyl isobutyrate
FL/FR
cinnamyl isovalerate
FL/FR
citronellyl formate
FL/FR
cyclohexyl isovalerate
FL/FR
(E)-beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
gamma-
decalactone
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
ethyl anthranilate
FL/FR
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
ethyl lactate
FL/FR
ethyl propionate
FL/FR
ethyl valerate
FL/FR
fruity ketal
FL/FR
geranyl butyrate
FL/FR
hexyl acetate
FL/FR
methyl anthranilate
FL/FR
methyl formate
FL
methyl propionate
FL/FR
nerolin fragarol
FL/FR
neryl isobutyrate
FL/FR
phenethyl butyrate
FL/FR
iso
propyl butyrate
FL/FR
propyl formate
FL/FR
iso
propyl formate
FL/FR
propyl isobutyrate
FL/FR
iso
propyl propionate
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
strawberry glycidate 2
FL/FR
styralyl acetate
FL/FR
terpinyl valerate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
green
iso
amyl formate
FL/FR
iso
amyl isovalerate
FL/FR
iso
amyl salicylate
FL/FR
iso
butyl isovalerate
FL/FR
cinnamyl alcohol
FL/FR
cyclohexyl ethyl acetate
FL/FR
diphenyl methane
FL/FR
geranyl formate
FL/FR
hexanol
FL/FR
(E)-2-
hexen-1-ol
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl formate
FL/FR
hexyl isovalerate
FL/FR
iso
jasmone
FL/FR
methyl heptine carbonate
FL/FR
nerolidol
FL/FR
honey
ethyl phenyl acetate
FL/FR
phenethyl acetate
FL/FR
phenethyl isobutyrate
FL/FR
jammy
(S)-
campholene acetate
FL/FR
maltyl isobutyrate
FL/FR
medicinal
ethyl benzoate
FL/FR
minty
ethyl salicylate
FL/FR
methyl salicylate
FL/FR
naphthyl
beta-
naphthyl methyl ether
FL/FR
phenolic
methyl benzoate
FL/FR
powdery
beta-
naphthyl ethyl ether
FL/FR
sour
2-
methyl-2-pentenoic acid
FL/FR
spicy
benzyl cinnamate
FL/FR
cinnamaldehyde
FL/FR
cinnamon bark oil ceylon
FL/FR
cuminaldehyde
FL/FR
cuminyl alcohol
FL/FR
methyl cinnamate
FL/FR
methyl isoeugenol
FL/FR
para-
tolualdehyde
FL/FR
sweet
orris rhizome absolute (iris pallida)
FL/FR
vanilla
ethyl vanillin
FL/FR
vanillin
FL/FR
waxy
iso
amyl butyrate
FL/FR
ethyl nonanoate
FL/FR
octyl acetate
FL/FR
propyl heptanoate
FL/FR
winey
valeraldehyde
FL/FR
woody
beta-
damascenone
FL/FR
beta-
ionyl acetate
FL/FR
 
Potential Uses:
 fern fougereFR
 jam 
 lavenderFR
 leatherFR
 opoponaxFL/FR
 plumFR
 raspberryFR
 rose redFR
 strawberryFR
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
 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
 phenyl-3-propyl-iso-valerate
beta-phenylpropyl 3-methylbutanaote
3-phenylpropyl 3-methylbutanoate
3-phenylpropyl isopentanoate
3-phenylpropyl isovalerate
3-phenylpropyl isovalerianate
isovaleric acid, 3-phenylpropyl ester
 

Articles:

 None found yet.
 
Notes:
Flavouring ingredient Thioridazine is a trifluoro-methyl phenothiazine derivative intended for the management of schizophrenia and other psychotic disorders. Thioridazine has not been shown effective in the management of behaviorial complications in patients with mental retardation.
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