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2-phenethyl valerate
pentanoic acid, 2-phenylethyl ester

Supplier Sponsors

Flavor Demo Formulas
Name:2-phenylethyl pentanoate
CAS Number: 7460-74-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:231-246-9
FDA UNII:ZXI2952JET
Nikkaji Web:J155.066G
CoE Number:673
XlogP3:3.70 (est)
Molecular Weight:206.28486000
Formula:C13 H18 O2
BioActivity Summary:listing
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
FLAVIS Number:09.201 (Old)
DG SANTE Food Flavourings:09.201 phenethyl valerate
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.97800 to 0.98400 @ 25.00 °C.
Pounds per Gallon - (est).: 8.138 to 8.188
Refractive Index:1.48200 to 1.48900 @ 20.00 °C.
Boiling Point: 268.00 °C. @ 760.00 mm Hg
Boiling Point: 132.00 to 134.00 °C. @ 10.00 mm Hg
Vapor Pressure:0.002000 mm/Hg @ 25.00 °C. (est)
Flash Point: 233.00 °F. TCC ( 111.67 °C. )
logP (o/w): 3.827 (est)
Soluble in:
 alcohol
 water, 14.26 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
3-phenyl propyl isovalerate
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: floral
Odor Strength:medium
fruity rose leafy
Odor Description:at 100.00 %. fruity rose leaf
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-Phenethyl Valerate
ECSA Chemicals
Phenyl Ethyl Valerate
Company Profile
Ernesto Ventós
PHENYL ETHYL VALERATE
Odor: FLORAL, FRUITY, ROSE, LEAF
Grau Aromatics
PHENYLETHYL-VALERATE
NI, Kosher
Inoue Perfumery
PHENETHYL VALERATE
Lluch Essence
PHENYL ETHYL VALERATE
Reincke & Fichtner
2-Phenylethyl Valerate
SRS Aromatics
PHENYL ETHYL 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
Recommendation for 2-phenethyl valerate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
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 14 (FGE.14): Phenethyl alcohol, aldehyde, esters, and related phenylacetic acid esters from chemical group 15 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

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

Flavouring Group Evaluation 53 (FGE.53): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and one phenoxyethyl ester evaluated in FGE.23 (2006) (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

Flavouring Group Evaluation 14, Revision 1 (FGE.14Rev1): Phenethyl alcohol, aldehyde, acetals, carboxylic acid and related esters from chemical group 15 and 22 [1] - 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 53, Revision 1 (FGE.53Rev1): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) FGE.23Rev1 (2008)
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):7460-74-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :81964
National Institute of Allergy and Infectious Diseases:Data
2-phenylethyl pentanoate
Chemidplus:0007460744
 
References:
 2-phenylethyl pentanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:7460-74-4
Pubchem (cid):81964
Pubchem (sid):135037519
Pherobase:View
 
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
CHEBI:View
HMDB (The Human Metabolome Database):HMDB35016
FooDB:FDB013621
Export Tariff Code:2915.60.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aromatic
damascone carboxylate
FR
floral
benzyl isobutyrate
FL/FR
cassis buteneone
FR
citronellal diisotridecyl acetal
FR
(R)-(+)-beta-
citronellol
FL/FR
citronellyl acetate
FL/FR
citronellyl anthranilate
FL/FR
citronellyl hexanoate
FL/FR
citronellyl propionate
FL/FR
(E)-
citronellyl tiglate
FL/FR
3-
cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
FR
beta-
damascenone
FL/FR
delta-
damascone
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
ethyl linalyl acetate
FR
ethyl ortho-anisate
FL/FR
eucalyptus macarthurii oil
FR
geraniol
FL/FR
geranium oil egypt fractions
FR
geranium specialty
FR
geranyl acetone
FL/FR
geranyl formate
FL/FR
geranyl isobutyrate
FL/FR
geranyl phenyl acetate
FL/FR
geranyl propionate
FL/FR
geranyl valerate
FL/FR
hyacinth acetals
FL/FR
phenethyl isobutyrate
FL/FR
phenethyl isovalerate
FL/FR
phenethyl propionate
FL/FR
rhodinyl butyrate
FL/FR
rose butanoate
FL/FR
styralyl propionate
FL/FR
fresh
10-
undecen-1-yl acetate
FL/FR
fruity
allyl isononylate
FR
artemisia pallens herb oil
FL/FR
(E)-
ethyl tiglate
FL/FR
(E,Z)-6-
ethyl-5,7-dimethyl-2,5-octadien-4-one
FR
geranyl butyrate
FL/FR
(E)-2-
hexen-1-ol
FL/FR
octyl formate
FL/FR
(E,E)-
pomarose
FR
thesaron (Takasago)
FR
green
green ether
FL/FR
(Z)-2-
hexen-1-ol
FL/FR
hexyl phenyl acetate
FL/FR
magnolia flower oil
FL/FR
octanal dimethyl acetal
FL/FR
herbal
geranium cyclohexane
FR
geranyl octanoate
FL/FR
linalyl formate
FL/FR
rosemary oleoresin
FL/FR
waxy
dihydrocitronellyl acetate
FL/FR
ethyl nonanoate
FL/FR
geranyl undecylenate
FR
winey
butyl angelate
FL/FR
woody
santalyl butyrate
FL/FR
For Flavor
No flavor group found for these
butyl angelate
FL/FR
(R)-(+)-beta-
citronellol
FL/FR
dihydrocitronellyl acetate
FL/FR
ethyl ortho-anisate
FL/FR
geranyl octanoate
FL/FR
geranyl valerate
FL/FR
linalyl formate
FL/FR
magnolia flower oil
FL/FR
santalyl butyrate
FL/FR
aromatic
aromatic
hyacinth acetals
FL/FR
citrus
styralyl propionate
FL/FR
floral
citronellyl acetate
FL/FR
citronellyl hexanoate
FL/FR
citronellyl propionate
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
geraniol
FL/FR
geranyl acetone
FL/FR
geranyl isobutyrate
FL/FR
geranyl phenyl acetate
FL/FR
phenethyl propionate
FL/FR
rhodinyl butyrate
FL/FR
fruity
artemisia pallens herb oil
FL/FR
benzyl isobutyrate
FL/FR
citronellyl anthranilate
FL/FR
(E)-
ethyl tiglate
FL/FR
geranyl butyrate
FL/FR
hexyl phenyl acetate
FL/FR
phenethyl isovalerate
FL/FR
rose butanoate
FL/FR
greasy
10-
undecen-1-yl acetate
FL/FR
green
(E)-
citronellyl tiglate
FL/FR
geranyl formate
FL/FR
green ether
FL/FR
(E)-2-
hexen-1-ol
FL/FR
(Z)-2-
hexen-1-ol
FL/FR
octanal dimethyl acetal
FL/FR
octyl formate
FL/FR
herbal
rosemary oleoresin
FL/FR
honey
phenethyl isobutyrate
FL/FR
waxy
ethyl nonanoate
FL/FR
geranyl propionate
FL/FR
woody
beta-
damascenone
FL/FR
delta-
damascone
FL/FR
 
Potential Uses:
FRfruit
FRrose
FL/FRrose leaf
FRtobacco
 
Occurrence (nature, food, other):note
 beer - 0.02 mg/kg
Search PMC Picture
 eucalyptus oil - up to 1200 mg/kg
Search Trop Picture
 lettuce lamb's lettuce - 1 mg/kg
Search Trop Picture
 peppermint leaf
Search Trop Picture
 
Synonyms:
 pentanoic acid 2-phenethyl ester
 pentanoic acid 2-phenyl ethyl ester
 pentanoic acid, 2-phenylethyl ester
2-phenethyl pentanoate
 phenethyl valerate
 phenyl ethyl pentanoate
 phenyl ethyl valerate
2-phenylethyl pentanoate
2-phenylethyl valerate
 phenylethyl-valerate
 valeric acid phenethyl ester
 valeric acid phenyl ethyl ester
 valeric acid, phenethyl ester
 

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Notes:
Flavouring ingredient
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