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phenyl propyl valerate
pentanoic acid, 3-phenylpropyl ester

Supplier Sponsors

Name:3-phenylpropyl pentanoate
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
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Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
 
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
 
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).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
3-Phenylpropyl valerate
 
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
 
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.
 
 
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
 
References:
 3-phenylpropyl pentanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:5451-88-7
Pubchem (cid):79546
Pubchem (sid):135037382
 
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
 
Potential Blenders and core components note
For Odor
No odor group found for these
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-one
FL/FR
acidic
acidic
2-
methyl-2-pentenoic acid
FL/FR
balsamic
benzyl cinnamate
FL/FR
cinnamyl formate
FL/FR
methyl (E)-cinnamate
FL/FR
methyl cinnamate
FL/FR
caramellic
ethyl maltol
FL/FR
maltyl isobutyrate
FL/FR
strawberry furanone
FL/FR
citrus
2-
heptanol
FL/FR
fatty
butyl undecylenate
FL/FR
4-
ethyl octanoic acid
FL/FR
fermented
methyl decanoate
FL/FR
floral
acetal 318
FR
iso
amyl angelate
FL/FR
alpha-
amyl cinnamaldehyde
FL/FR
benzyl acetate
FL/FR
benzyl acetoacetate
FL/FR
benzyl formate
FL/FR
citronellyl butyrate
FL/FR
citronellyl hexanoate
FL/FR
citronellyl propionate
FL/FR
(E)-
citronellyl tiglate
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
geraniol
FL/FR
heliotropyl acetate
FL/FR
menthadienyl formate
FR
ortho-
methoxybenzyl ethyl ether
FR
methoxymelonal
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
methyl ionyl acetate
FL/FR
nerolin fragarol
FL/FR
3-
nonanon-1-yl acetate
FL/FR
orris rhizome concrete butter (iris pallida)
FL/FR
petitgrain lemon oil
FL/FR
phenethyl butyrate
FL/FR
phenethyl isobutyrate
FL/FR
phenethyl isovalerate
FL/FR
1-
phenyl propyl butyrate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
iso
propyl benzoate
FL/FR
rose undecene
FR
star fruit oil cuba
FL/FR
terpinyl valerate
FL/FR
tetrahydroionyl acetate
FR
fruity
acetyl methyl anthranilate
FL/FR
benzaldehyde / methyl anthranilate schiff's base
FR
berry hexanoate
FR
berry pentadienoate
FL/FR
iso
butyl anthranilate
FL/FR
iso
butyl furyl propionate
FL/FR
iso
butyl-3-(methyl thio) butyrate
FL/FR
citronellyl isobutyrate
FL/FR
(E)-beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
beta-
damascone
FL/FR
ethyl levulinate
FL/FR
fruity ketal
FL/FR
heptyl isobutyrate
FL/FR
hexyl isovalerate
FL/FR
leather propionate
FR
maltyl butyrate
FL/FR
3-
mercaptohexyl acetate
FL/FR
methyl (Z)-3-hexenoate
FL/FR
methyl isobutyrate
FL/FR
methyl propionate
FL/FR
(E)-2-
methyl-2-pentenoic acid
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
neryl isobutyrate
FL/FR
3-
phenyl propyl isovalerate
FL/FR
propyl heptanoate
FL/FR
rhubarb pyran
FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
strawberry glycidate 2
FL/FR
(S)-
styralyl acetate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
tropical ionone
FL/FR
green
acetaldehyde methyl hexyl acetal
FR
iso
amyl 3-(2-furan) propionate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
hexoxyacetaldehyde dimethyl acetal
FR
herbal
chamomile isobutyrate
FR
chamomile propionate
FR
chamomile valerate
FR
clary propyl acetate
FR
methyl cyclogeranate (Firmenich)
FR
powdery
alpha-
methyl ionone
FL/FR
spicy
para-
anisyl formate
FL/FR
woody
2-
decalinyl acetate
FR
For Flavor
No flavor group found for these
1-
acetyl cyclohexyl acetate
FL
amyl angelate
FL
iso
amyl angelate
FL/FR
2-
butyl thiophene
FL
iso
butyl-3-(methyl thio) butyrate
FL/FR
2,4-
difurfuryl furan
FL
S-(2,5-
dimethyl-3-furyl) ethane thioate
FL
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-one
FL/FR
methyl (E)-cinnamate
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
(E)-2-
methyl-2-pentenoic acid
FL/FR
1-
phenyl propyl butyrate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
3-
phenyl propyl isovalerate
FL/FR
iso
propyl benzoate
FL/FR
(S)-
styralyl acetate
FL/FR
iso
amyl 3-(2-furan) propionate
FL/FR
benzyl acetoacetate
FL/FR
iso
butyl furyl propionate
FL/FR
beta-
damascone
FL/FR
berry
berry
heptyl isobutyrate
FL/FR
maltyl butyrate
FL/FR
burnt
ethyl 2-furoate
FL
caramellic
ethyl maltol
FL/FR
strawberry furanone
FL/FR
citrus
petitgrain lemon oil
FL/FR
ethereal
methyl isobutyrate
FL/FR
fatty
4-
ethyl octanoic acid
FL/FR
methyl decanoate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
floral
citronellyl hexanoate
FL/FR
citronellyl propionate
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
geraniol
FL/FR
heliotropyl acetate
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
orris rhizome concrete butter (iris pallida)
FL/FR
tropical ionone
FL/FR
fruity
acetyl methyl anthranilate
FL/FR
benzyl acetate
FL/FR
benzyl formate
FL/FR
berry pentadienoate
FL/FR
iso
butyl anthranilate
FL/FR
citronellyl butyrate
FL/FR
citronellyl isobutyrate
FL/FR
(Z)-beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
ethyl levulinate
FL/FR
fruity ketal
FL/FR
2-
heptanol
FL/FR
2-
hexyl-4-acetoxytetrahydrofuran
FL
methoxymelonal
FL/FR
methyl (Z)-3-hexenoate
FL/FR
methyl 4-phenyl butyrate
FL
alpha-
methyl ionone
FL/FR
methyl propionate
FL/FR
nerolin fragarol
FL/FR
neryl isobutyrate
FL/FR
3-
nonanon-1-yl acetate
FL/FR
phenethyl butyrate
FL/FR
phenethyl isovalerate
FL/FR
2-
phenyl-4-pentenal
FL
star fruit oil cuba
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
strawberry glycidate 2
FL/FR
terpinyl valerate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
green
(E)-
citronellyl tiglate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
hexyl isovalerate
FL/FR
honey
phenethyl isobutyrate
FL/FR
jammy
maltyl isobutyrate
FL/FR
sour
2-
methyl-2-pentenoic acid
FL/FR
spicy
para-
anisyl formate
FL/FR
benzyl cinnamate
FL/FR
cinnamyl formate
FL/FR
methyl cinnamate
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
3-
mercaptohexyl acetate
FL/FR
waxy
butyl undecylenate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
propyl heptanoate
FL/FR
woody
methyl ionyl acetate
FL/FR
 
Potential Uses:
FRrose red rose
FRstrawberry
 
Occurrence (nature, food, other):note
 not found in nature
 
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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