phenyl propyl valerate
pentanoic acid, 3-phenylpropyl ester
 
Notes:
Red rose reproductions.
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      5451-88-7 3-Phenylpropyl valerate
       
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CAS Number: 5451-88-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 226-690-5
FDA UNII: 8528917KSG
Nikkaji Web: J155.082I
XlogP3: 3.90 (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
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Pubchem Patents: Search
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Physical Properties:
Appearance: colorless to pale yellow clear oily liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 285.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.000482 mmHg @ 25.00 °C. (est)
Flash Point: 246.00 °F. TCC ( 118.89 °C. )
logP (o/w): 4.375 (est)
Soluble in:
 alcohol
 water, 4.582 mg/L @ 25 °C (est)
Insoluble in:
 water
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
3-phenyl propyl isovalerate
S-prenyl thioisovalerate
isopropyl thioisovalerate
propyl valerate
propyl isovalerate
isopropyl valerate
isopropyl isovalerate
rhodinyl isovalerate
terpinyl isovalerate
terpinyl valerate
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Organoleptic Properties:
 
Odor Type: fruity
 
Odor Strength: medium
 
 fruity  strawberry  floral  
Odor Description:
at 100.00 %. 
fruity strawberry floral
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
3-Phenylpropyl valerate
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Safety Information:
 
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
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for phenyl propyl valerate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 79546
National Institute of Allergy and Infectious Diseases: Data
 3-phenylpropyl pentanoate
Chemidplus: 0005451887
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References:
 3-phenylpropyl pentanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 5451-88-7
Pubchem (cid): 79546
Pubchem (sid): 135037382
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2915.60.0000
ChemSpider: View
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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
acidic
2-methyl-2-pentenoic acidFL/FR
balsamic
 benzyl cinnamateFL/FR
 cinnamyl formateFL/FR
 methyl (E)-cinnamateFL/FR
 methyl cinnamateFL/FR
caramellic
 ethyl maltolFL/FR
 maltyl isobutyrateFL/FR
 strawberry furanoneFL/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
 heliotropyl acetateFL/FR
 menthadienyl formateFR
ortho-methoxybenzyl ethyl etherFR
 methoxymelonalFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
 nerolin fragarolFL/FR
3-nonanon-1-yl acetateFL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 petitgrain lemon oilFL/FR
 phenethyl butyrateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
4-phenyl-3-buten-2-olFL/FR
isopropyl benzoateFL/FR
 rose undeceneFR
 star fruit oil cubaFL/FR
 terpinyl valerateFL/FR
 tetrahydroionyl acetateFR
fruity
 acetyl methyl anthranilateFL/FR
 benzaldehyde / methyl anthranilate schiff's baseFR
 berry hexanoateFR
 berry pentadienoateFL/FR
isobutyl anthranilateFL/FR
isobutyl furyl propionateFL/FR
isobutyl-3-(methyl thio) butyrateFL/FR
 citronellyl isobutyrateFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
beta-damasconeFL/FR
 ethyl levulinateFL/FR
 fruity ketalFL/FR
 heptyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 leather propionateFR
 maltyl butyrateFL/FR
3-mercaptohexyl acetateFL/FR
 methyl (Z)-3-hexenoateFL/FR
 methyl isobutyrateFL/FR
 methyl propionateFL/FR
(E)-2-methyl-2-pentenoic acidFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
 neryl isobutyrateFL/FR
3-phenyl propyl isovalerateFL/FR
 propyl heptanoateFL/FR
 rhubarb pyranFR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 strawberry glycidate 2FL/FR
(S)-styralyl acetateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
 tropical iononeFL/FR
green
 acetaldehyde methyl hexyl acetalFR
isoamyl 3-(2-furan) propionateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
 hexoxyacetaldehyde dimethyl acetalFR
herbal
 chamomile isobutyrateFR
 chamomile propionateFR
 chamomile valerateFR
 clary propyl acetateFR
 methyl cyclogeranate (Firmenich)FR
powdery
alpha-methyl iononeFL/FR
spicy
para-anisyl formateFL/FR
woody
2-decalinyl acetateFR
 
For Flavor
 
No flavor group found for these
1-acetyl cyclohexyl acetateFL
 amyl angelateFL
isoamyl angelateFL/FR
2-butyl thiopheneFL
isobutyl-3-(methyl thio) butyrateFL/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 (E)-cinnamateFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
(E)-2-methyl-2-pentenoic acidFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
3-phenyl propyl isovalerateFL/FR
isopropyl benzoateFL/FR
(S)-styralyl acetateFL/FR
isoamyl 3-(2-furan) propionateFL/FR
 benzyl acetoacetateFL/FR
isobutyl furyl propionateFL/FR
beta-damasconeFL/FR
berry
 heptyl isobutyrateFL/FR
 maltyl butyrateFL/FR
burnt
 ethyl 2-furoateFL
caramellic
 ethyl maltolFL/FR
 strawberry furanoneFL/FR
citrus
 petitgrain lemon oilFL/FR
ethereal
 methyl isobutyrateFL/FR
fatty
4-ethyl octanoic acidFL/FR
 methyl decanoateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
floral
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 geraniolFL/FR
 heliotropyl acetateFL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 tropical iononeFL/FR
fruity
 acetyl methyl anthranilateFL/FR
 benzyl acetateFL/FR
 benzyl formateFL/FR
 berry pentadienoateFL/FR
isobutyl anthranilateFL/FR
 citronellyl butyrateFL/FR
 citronellyl isobutyrateFL/FR
(Z)-beta-damasconeFL/FR
(E)-beta-damasconeFL/FR
 ethyl levulinateFL/FR
 fruity ketalFL/FR
2-heptanolFL/FR
2-hexyl-4-acetoxytetrahydrofuranFL
 methoxymelonalFL/FR
 methyl (Z)-3-hexenoateFL/FR
 methyl 4-phenyl butyrateFL
alpha-methyl iononeFL/FR
 methyl propionateFL/FR
 nerolin fragarolFL/FR
 neryl isobutyrateFL/FR
3-nonanon-1-yl acetateFL/FR
 phenethyl butyrateFL/FR
 phenethyl isovalerateFL/FR
2-phenyl-4-pentenalFL
 star fruit oil cubaFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 strawberry glycidate 2FL/FR
 terpinyl valerateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
green
(E)-citronellyl tiglateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
 hexyl isovalerateFL/FR
honey
 phenethyl isobutyrateFL/FR
jammy
 maltyl isobutyrateFL/FR
sour
2-methyl-2-pentenoic acidFL/FR
spicy
para-anisyl formateFL/FR
 benzyl cinnamateFL/FR
 cinnamyl formateFL/FR
 methyl cinnamateFL/FR
tropical
alpha-amyl cinnamaldehydeFL/FR
3-mercaptohexyl acetateFL/FR
waxy
 butyl undecylenateFL/FR
4-phenyl-3-buten-2-olFL/FR
 propyl heptanoateFL/FR
woody
 methyl ionyl acetateFL/FR
 
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Potential Uses:
 rose red roseFR
 strawberryFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 pentanoic acid 3-phenyl propyl ester
 pentanoic acid, 3-phenylpropyl ester
3-phenyl propyl pentanoate
3-phenyl propyl valerate
3-phenylpropyl pentanoate
3-phenylpropyl valerate
 valeric acid, 3-phenylpropyl ester
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Articles:
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