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amyl isovalerate
pentyl isovalerate

Sponsors

Flavor Demo Formulas
Name:pentyl 3-methylbutanoate
CAS Number: 25415-62-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:246-954-3
Nikkaji Web:J183.048A
MDL:MFCD00048848
CoE Number:2224
XlogP3-AA:3.20 (est)
Molecular Weight:172.26780000
Formula:C10 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
PubMed:Search
NCBI:Search
FLAVIS Number:09.499 (Old)
DG SANTE Food Flavourings:09.499 pentyl isovalerate
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 169.00 to 170.00 °C. @ 760.00 mm Hg
Boiling Point: 88.00 to 89.00 °C. @ 50.00 mm Hg
Vapor Pressure:0.413000 mm/Hg @ 25.00 °C. (est)
Flash Point: 160.00 °F. TCC ( 71.11 °C. )
logP (o/w): 3.686 (est)
Soluble in:
 alcohol
 water, 38.59 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl valerate
allyl isovalerate
amyl valerate
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
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
Substantivity:4 hour(s) at 100.00 %
apple fresh fruity
Odor Description:at 100.00 %. apple fresh fruity
Odor and/or flavor descriptions from others (if found).
SRS Aromatics
AMYL ISO VALERATE
Odor Description:Apple, Fresh, Fruity
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
Amyl Isovalerate
ECSA Chemicals
Amyl Isovalerate
Company Profile
Ernesto Ventós
AMYL ISOVALERATE
Grau Aromatics
AMYL-iso-VALERATE (n-AMYL-iso-VALERATE)
NI, Kosher
Indenta Group
Amyl Isovalerate
Inoue Perfumery
AMYL ISOVALERATE
Lluch Essence
N-AMYL ISOVALERATE
M&U International
AMYL ISOVALERATE, Kosher
M&U International
NAT. AMYL ISOVALERATE
Pearlchem Corporation
Amyl Iso Valerate
Penta International
AMYL ISOVALERATE, Kosher
Reincke & Fichtner
Amyl Isovalerate
Santa Cruz Biotechnology
For experimental / research use only.
Pentyl isovalerate
SRS Aromatics
AMYL ISO VALERATE
Odor: Apple, Fresh, Fruity
Synerzine
Amyl Isovalerate
The John D. Walsh Company
Amyl Iso Valerate
The Lermond Company
Amyl Iso Valerate
Vigon International
Amyl Isovalerate
(Mixed Isomers 35/65)
Odor: FRUITY, APPLE
 
Safety Information:
Preferred SDS: View
 
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 amyl isovalerate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 9.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 2300 (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): 10.00000200.00000
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): --
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.00000200.00000
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):

Flavouring Group Evaluation 1, Revision 1 (FGE.01Rev 1): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission
View page or View pdf

Flavouring Group Evaluation 01 Rev2 (FGE.01 Rev2): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2
View page or View pdf

Scientific Opinion on the safety and efficacy of straight-chain primary aliphatic alcohols/aldehydes/acids, acetals and esters with esters containing saturated alcohols and acetals containing saturated aldehydes (chemical group 1) when used as flavourings for all animal species
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):25415-62-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :95978
National Institute of Allergy and Infectious Diseases:Data
pentyl 3-methylbutanoate
Chemidplus:0025415627
 
References:
 pentyl 3-methylbutanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:25415-62-7
Pubchem (cid):95978
Pubchem (sid):135053104
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):HMDB32045
FooDB:FDB008749
Export Tariff Code:2915.60.0000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
propyl 2-methyl butyrate
FL/FR
aldehydic
aldehydic
decanal (aldehyde C-10)
FL/FR
nonanal (aldehyde C-9)
FL/FR
balsamic
amyris wood oil
FL/FR
ethyl cinnamate
FL/FR
berry
raspberry ketone methyl ether
FL/FR
caramellic
strawberry furanone
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
grapefruit oil c.p. california
FL/FR
blood
orange oil italy
FL/FR
fatty
decanol
FL/FR
fermented
hexanal diethyl acetal
FL/FR
floral
alpha-
amyl cinnamaldehyde
FL/FR
iso
amyl salicylate
FL/FR
benzyl acetate
FL/FR
bois de rose oil brazil
FL/FR
(Z)-alpha-
damascone
FL/FR
gamma-
damascone
FR
alpha-
damascone
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
floral pyranol
FR
gardenia oxide
FR
methyl citronellate
FL/FR
neryl acetate
FL/FR
nonanol
FL/FR
ocean propanal
FL/FR
petitgrain oil paraguay
FL/FR
phenethyl isobutyrate
FL/FR
ylang ylang flower oil
FL/FR
fruity
acetaldehyde hexyl isoamyl acetal
FL/FR
allyl cyclohexyl propionate
FL/FR
allyl hexanoate
FL/FR
amyl 2-methyl butyrate
FL/FR
iso
amyl acetate
FL/FR
iso
amyl butyrate
FL/FR
amyl isobutyrate
FL/FR
apple ketal
FL/FR
benzaldehyde
FL/FR
benzyl isovalerate
FL/FR
butyl isovalerate
FL/FR
cyclohexyl butyrate
FL/FR
(E)-alpha-
damascone
FL/FR
gamma-
decalactone
FL/FR
diethyl malonate
FL/FR
eriocephalus punctulatus flower oil
FR
ethyl acetoacetate
FL/FR
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
ethyl isovalerate
FL/FR
ethyl valerate
FL/FR
fruity ketal
FL/FR
geranyl 2-methyl butyrate
FL/FR
green acetate
FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl acetate
FL/FR
hexyl isovalerate
FL/FR
2-
methyl butyl butyrate
FL/FR
methyl isovalerate
FL/FR
nonyl isovalerate
FL/FR
propyl heptanoate
FL/FR
iso
propyl isovalerate
FL/FR
propyl isovalerate
FL/FR
(E,E)-5,6,7,7-
tetramethyl-2,5-octadien-4-one
FR
para-
tolualdehyde
FL/FR
green
butyl heptanoate
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
green note propionate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(Z)-3-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexenal
FL/FR
(E)-2-
hexenal propylene glycol acetal
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
methyl (E)-3-hexenoate
FL/FR
3-
octyl formate
FL/FR
(E)-2-
pentenal
FL/FR
propyl tiglate
FL/FR
violet leaf absolute
FL/FR
melon
melon heptenal
FL/FR
powdery
para-
anisyl acetate
FL/FR
vanilla
ethyl vanillin
FL/FR
waxy
ethyl decanoate
FL/FR
woody
lariciu
pine needle oil
FR
For Flavor
No flavor group found for these
acetaldehyde hexyl isoamyl acetal
FL/FR
amyl 2-methyl butyrate
FL/FR
amyl isobutyrate
FL/FR
cyclohexyl butyrate
FL/FR
(Z)-alpha-
damascone
FL/FR
geranyl 2-methyl butyrate
FL/FR
hexanal diethyl acetal
FL/FR
(E)-3-
hexenal
FL
(E)-2-
hexenal propylene glycol acetal
FL/FR
2-
hexyl acetate
FL
nonyl isovalerate
FL/FR
propyl 2-methyl butyrate
FL/FR
iso
propyl isovalerate
FL/FR
propyl isovalerate
FL/FR
propyl tiglate
FL/FR
aldehydic
aldehydic
nonanal (aldehyde C-9)
FL/FR
balsamic
ethyl cinnamate
FL/FR
berry
raspberry ketone methyl ether
FL/FR
caramellic
strawberry furanone
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
grapefruit oil c.p. california
FL/FR
blood
orange oil italy
FL/FR
petitgrain oil paraguay
FL/FR
estery
ethyl acetoacetate
FL/FR
floral
bois de rose oil brazil
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
methyl citronellate
FL/FR
neryl acetate
FL/FR
ocean propanal
FL/FR
ylang ylang flower oil
FL/FR
fruity
allyl cyclohexyl propionate
FL/FR
allyl hexanoate
FL/FR
iso
amyl acetate
FL/FR
para-
anisyl acetate
FL/FR
apple ketal
FL/FR
benzaldehyde
FL/FR
benzyl acetate
FL/FR
benzyl isovalerate
FL/FR
butyl heptanoate
FL/FR
butyl isovalerate
FL/FR
(E)-alpha-
damascone
FL/FR
alpha-
damascone
FL/FR
gamma-
decalactone
FL/FR
diethyl malonate
FL/FR
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
ethyl isovalerate
FL/FR
ethyl valerate
FL/FR
fruity ketal
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl acetate
FL/FR
2-
methyl butyl butyrate
FL/FR
methyl isovalerate
FL/FR
green
iso
amyl salicylate
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
green note propionate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(Z)-3-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexenal
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl isovalerate
FL/FR
melon heptenal
FL/FR
methyl (E)-3-hexenoate
FL/FR
(E)-2-
pentenal
FL/FR
violet leaf absolute
FL/FR
honey
phenethyl isobutyrate
FL/FR
spicy
para-
tolualdehyde
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
vanilla
ethyl vanillin
FL/FR
waxy
iso
amyl butyrate
FL/FR
decanal (aldehyde C-10)
FL/FR
decanol
FL/FR
ethyl decanoate
FL/FR
nonanol
FL/FR
3-
octyl formate
FL/FR
propyl heptanoate
FL/FR
woody
amyris wood oil
FL/FR
 
Potential Uses:
FRapple
FRapple green apple
FRapricot
FRbanana
FRblackberry
FRblueberry
 blueberry whortleberry red whortleberry
FRboysenberry
 bramble arctic bramble
FRcherry
FRcherry black cherry
 cloudberry bakeapple
FRcurrant
FRcurrant black currant
FRdate
FRfruit
FRfruit juicy fruit
 fruit tropical fruit
FRgooseberry
FRgrape
FLgrenadine
FRhoney
FRhuckleberry
FLjackfruit
FRkiwi
FRloganberry
FRlychee
FRmango
 melon watermelon muskmelon cantaloupe
FRmint
 modifier
FRmulberry
FLolive
FRpapaya
FRpassion fruit
FRpeach
FRpear
FRpineapple
FRplum
FLplum greengage plum
FRplum mirabelle plum
FRquince
FRraspberry
FRraspberry black raspberry
FRspice
FRstephanotis
FRstrawberry
FLtomato
FL/FRvalerian
FLwalnut
 
Occurrence (nature, food, other):note
 osmanthus absolute @ 0.008%
Data GC Search Trop Picture
 
Synonyms:
 amyl iso valerate
 butanoic acid, 3-methyl-, pentyl ester
 butyric acid, 3-methyl-, pentyl ester
3-methyl butanoic acid pentyl ester
3-methylbutanoic acid pentyl ester
 pentyl 3-methyl butyrate
 pentyl 3-methylbutanoate
 pentyl 3-methylbutyrate
 pentyl isovalerate
1-pentyl isovalerate
isovaleric acid pentyl ester
isovaleric acid, pentyl ester
 
 
Notes:
Used in food flavouring
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