EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

amyl isobutyrate
pentyl isobutyrate

Supplier Sponsors

Name:pentyl 2-methylpropanoate
CAS Number: 2445-72-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:219-494-6
FDA UNII:7UEX06WJZW
Nikkaji Web:J100.892G
CoE Number:293
XlogP3:3.00 (est)
Molecular Weight:158.24086000
Formula:C9 H18 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:09.418 (Old)
DG SANTE Food Flavourings:09.418 pentyl isobutyrate
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.85300 to 0.86200 @ 25.00 °C.
Pounds per Gallon - (est).: 7.098 to 7.173
Refractive Index:1.39100 to 1.42100 @ 20.00 °C.
Boiling Point: 176.00 to 177.00 °C. @ 760.00 mm Hg
Vapor Pressure:1.090000 mm/Hg @ 25.00 °C. (est)
Flash Point: 139.00 °F. TCC ( 59.44 °C. )
logP (o/w): 3.177 (est)
Soluble in:
 alcohol
 water, 117.8 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
amyl butyrate
isoamyl butyrate
isoamyl isobutyrate
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium
fruity apple banana apricot buttery
Odor Description:at 100.00 %. fruity apple banana apricot buttery
Odor and/or flavor descriptions from others (if found).
Moellhausen
AMYL ISOBUTYRATE
Odor Description:fresh fruity, somewhat buttery
SRS Aromatics
AMYL ISO BUTYRATE
Odor Description:Fruity, Apple, Banana, Apricot
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
Amyl Isobutyrate
ECSA Chemicals
Amyl Isobutyrate
Company Profile
Ernesto Ventós
AMYL ISOBUTYRATE
Odor: FRUITY
Grau Aromatics
AMYL-iso-BUTYRATE (n-AMYL-iso-BUTYRATE)
NI, Kosher
Inoue Perfumery
AMYL ISOBUTYRATE
Lluch Essence
AMYL ISOBUTYRATE
Odor: FRUITY, GREEN
Moellhausen
AMYL ISOBUTYRATE
Odor: fresh fruity, somewhat buttery
Penta International
AMYL ISOBUTYRATE
Prodasynth
AMYL ISOBUYRATE >99%
Odor: FRUITY
SRS Aromatics
AMYL ISO BUTYRATE
Odor: Fruity, Apple, Banana, Apricot
Synerzine
N-Amyl Isobutyrate
Tengzhou Xiang Yuan Aroma Chemicals
Amyl Isobutyrate
Vigon International
Amyl Isobutyrate
 
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 amyl isobutyrate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.30 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3500 (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): --
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

EPI System: View
EPA Substance Registry Services (TSCA):2445-72-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :75554
National Institute of Allergy and Infectious Diseases:Data
pentyl 2-methylpropanoate
Chemidplus:0002445729
 
References:
 pentyl 2-methylpropanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:2445-72-9
Pubchem (cid):75554
Pubchem (sid):135032959
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
HMDB (The Human Metabolome Database):Search
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
propyl 2-methyl butyrate
FL/FR
ethereal
ethereal
butyl acetate
FL/FR
cyclohexyl formate
FL/FR
iso
propyl acetate
FL/FR
fatty
3-
decen-2-one
FL/FR
fermented
hexanal diethyl acetal
FL/FR
floral
alpha-
damascone
FL/FR
(Z)-alpha-
damascone
FL/FR
gamma-
damascone
FR
linalyl butyrate
FL/FR
methyl citronellate
FL/FR
fruity
acetaldehyde hexyl isoamyl acetal
FL/FR
acetoin acetate
FL/FR
allyl isovalerate
FL/FR
allyl propionate
FL/FR
allyl salicylate
FR
amyl 2-methyl butyrate
FL/FR
iso
amyl acetate
FL/FR
amyl acetate
FL/FR
amyl butyrate
FL/FR
amyl heptanoate
FL/FR
iso
amyl hexanoate
FL/FR
amyl isovalerate
FL/FR
iso
amyl propionate
FL/FR
iso
amyl valerate
FL/FR
apple ketal
FL/FR
apricot isobutyrate
FR
benzyl heptanoate
FL/FR
benzyl isovalerate
FL/FR
benzyl propionate
FL/FR
2-
butanol
FL/FR
iso
butyl isovalerate
FL/FR
butyl isovalerate
FL/FR
cyclohexyl acetate
FL/FR
cyclohexyl butyrate
FL/FR
cyclohexyl isovalerate
FL/FR
cyclohexyl propionate
FL/FR
(E)-alpha-
damascone
FL/FR
decen-1-yl cyclopentanone
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
eriocephalus punctulatus flower oil
FR
2-
ethyl butyl acetate
FL/FR
ethyl isovalerate
FL/FR
ethyl valerate
FL/FR
fruity ketal
FL/FR
furfuryl acetate
FL/FR
geranyl 2-methyl butyrate
FL/FR
geranyl isovalerate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl formate
FL/FR
hexyl isovalerate
FL/FR
methyl 2-methyl valerate
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl butyrate
FL/FR
methyl butyrate
FL/FR
methyl isovalerate
FL/FR
methyl propionate
FL/FR
methyl valerate
FL/FR
nonyl isovalerate
FL/FR
2-
pentyl butyrate
FL/FR
prenyl acetate
FL/FR
propyl butyrate
FL/FR
propyl heptanoate
FL/FR
iso
propyl isovalerate
FL/FR
propyl isovalerate
FL/FR
iso
propyl octanoate
FL/FR
(E,E)-5,6,7,7-
tetramethyl-2,5-octadien-4-one
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
(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
(Z)-3-
hexenal diethyl acetal
FL/FR
(E)-2-
hexenal propylene glycol acetal
FL/FR
3-
hexenyl acetate
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
methyl (E)-3-hexenoate
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
3-
octyl formate
FL/FR
(E)-2-
pentenal
FL/FR
propyl tiglate
FL/FR
waxy
ethyl decanoate
FL/FR
woody
marine formate
FR
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 isovalerate
FL/FR
benzyl heptanoate
FL/FR
2-
butanol
FL/FR
cyclohexyl butyrate
FL/FR
(Z)-alpha-
damascone
FL/FR
diethyl maleate
FL
geranyl 2-methyl butyrate
FL/FR
heptyl 2-methyl butyrate
FL
hexanal diethyl acetal
FL/FR
(E)-3-
hexenal
FL
(Z)-3-
hexenal diethyl acetal
FL/FR
(E)-2-
hexenal dimethyl acetal
FL
(E)-2-
hexenal propylene glycol acetal
FL/FR
3-
hexenyl acetate
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
alliaceous
alliaceous
allyl propionate
FL/FR
estery
furfuryl acetate
FL/FR
ethereal
butyl acetate
FL/FR
iso
propyl acetate
FL/FR
floral
linalyl butyrate
FL/FR
methyl citronellate
FL/FR
fruity
acetoin acetate
FL/FR
allyl isovalerate
FL/FR
amyl acetate
FL/FR
iso
amyl acetate
FL/FR
amyl butyrate
FL/FR
amyl heptanoate
FL/FR
iso
amyl hexanoate
FL/FR
iso
amyl propionate
FL/FR
iso
amyl valerate
FL/FR
apple ketal
FL/FR
benzyl isovalerate
FL/FR
benzyl propionate
FL/FR
butyl heptanoate
FL/FR
butyl isovalerate
FL/FR
cyclohexyl isovalerate
FL/FR
cyclohexyl propionate
FL/FR
alpha-
damascone
FL/FR
(E)-alpha-
damascone
FL/FR
decen-1-yl cyclopentanone
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
2-
ethyl butyl acetate
FL/FR
ethyl isovalerate
FL/FR
ethyl valerate
FL/FR
fruity ketal
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
methyl 2-methyl valerate
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl butyrate
FL/FR
methyl isovalerate
FL/FR
methyl propionate
FL/FR
methyl valerate
FL/FR
2-
pentyl butyrate
FL/FR
prenyl acetate
FL/FR
propyl butyrate
FL/FR
iso
propyl octanoate
FL/FR
fusel
methyl butyrate
FL/FR
green
iso
butyl isovalerate
FL/FR
cyclohexyl formate
FL/FR
3-
decen-2-one
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
geranyl isovalerate
FL/FR
green note propionate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl butyrate
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 formate
FL/FR
hexyl isobutyrate
FL/FR
hexyl isovalerate
FL/FR
methyl (E)-3-hexenoate
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
(E)-2-
pentenal
FL/FR
solvent
cyclohexyl acetate
FL/FR
waxy
ethyl decanoate
FL/FR
3-
octyl formate
FL/FR
propyl heptanoate
FL/FR
 
Potential Uses:
FRapple
FRapricot
FRbanana
FRcherry
FRfruit
 fruit tropical fruit
FRpear
FRplum
FRtangerine
FLtropical
 
Occurrence (nature, food, other):note
 apple fruit
Search PMC Picture
 apricot fruit
Search Trop Picture
 banana fruit
Search Trop Picture
 hop oil
Search Trop Picture
 juniper
Search Trop Picture
 plum fruit
Search Trop Picture
 strychnos spinosa (monkey orange) - 25 mg/kg
Search Trop Picture
 
Synonyms:
N-amyl isobutyrate
isobutyric acid pentyl ester
isobutyric acid, pentyl ester
2-methyl propanoic acid pentyl ester
2-methylpropanoic acid pentyl ester
 pentyl 2-methyl propanoate
 pentyl 2-methylpropanoate
 pentyl isobutyrate
 propanoic acid, 2-methyl-, pentyl ester
 propionic acid, 2-methyl-, pentyl ester
 
 
Notes:
None found
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