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amyl 2-methyl butyrate
amyl 2-methylbutyrate

Sponsors

CAS Number: 68039-26-9Picture of molecule3D/inchi
Other:144810-16-2
ECHA EINECS - REACH Pre-Reg:268-244-2
Nikkaji Web:J183.082A
CoE Number:10875
XlogP3-AA:3.30 (est)
Molecular Weight:172.26780000
Formula:C10 H20 O2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Racemate
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:09.679 (Old)
DG SANTE Food Flavourings:09.679 amyl 2-methylbutyrate
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.85800 to 0.86400 @ 25.00 °C.
Pounds per Gallon - (est).: 7.139 to 7.189
Refractive Index:1.41200 to 1.41600 @ 20.00 °C.
Boiling Point: 194.00 to 195.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.413000 mm/Hg @ 25.00 °C. (est)
Flash Point: 156.00 °F. TCC ( 68.89 °C. )
logP (o/w): 3.686 (est)
Soluble in:
 alcohol
 water, 38.59 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
isoamyl 2-methyl butyrate
benzyl 2-methyl butyrate
bornyl 2-methyl butyrate
butyl 2-methyl butyrate
isobutyl 2-methyl butyrate
citronellyl 2-methyl butyrate
ethyl 2-hydroxy-2-methyl butyrate
(±)-ethyl 3-acetoxy-2-methyl butyrate
(±)-ethyl 3-hydroxy-2-methyl butyrate
ethyl 2-methyl butyrate
furfuryl 2-methyl butyrate
geranyl 2-methyl butyrate
heptyl 2-methyl butyrate
(E)-2-hexen-1-yl 2-methyl butyrate
(Z)-3-hexen-1-yl 2-methyl butyrate
3-hexen-1-yl 2-methyl butyrate
hexyl 2-methyl butyrate
methyl 3-acetoxy-2-methyl butyrate
2-methyl butyl 2-methyl butyrate
methyl 2-methyl butyrate
octyl 2-methyl butyrate
propyl 2-methyl butyrate
isopropyl 2-methyl butyrate
propylene glycol di-2-methyl butyrate
propylene glycol mono-2-methyl butyrate
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
apple fruity tropical
Odor Description:at 10.00 % in dipropylene glycol. apple fruity tropical
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Amyl 2-methylbutyrate
ECSA Chemicals
Amyl 2-methylbutyrate
Company Profile
Grau Aromatics
AMYL-2-METHYLBUTYRATE
NI, Kosher
Inoue Perfumery
AMYL 2-METHYL BUTYRATE
Lluch Essence
AMYL 2-METHYL BUTYRATE
SRS Aromatics
AMYL 2 METHYL BUTYRATE
Odor: Apple, Fruity
 
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 2-methyl butyrate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.90 (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): 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0): 3.0000015.00000
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): --
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):

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):68039-26-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :107059
National Institute of Allergy and Infectious Diseases:Data
pentyl 2-methylbutanoate
Chemidplus:0068039269
 
References:
 pentyl 2-methylbutanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:68039-26-9
Pubchem (cid):107059
Pubchem (sid):135064611
Flavornet:68039-26-9
 
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
FooDB:FDB029687
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
fatty
fatty
3-
decen-2-one
FL/FR
fermented
hexanal diethyl acetal
FL/FR
floral
(Z)-alpha-
damascone
FL/FR
gamma-
damascone
FR
alpha-
damascone
FL/FR
methyl citronellate
FL/FR
fruity
acetaldehyde hexyl isoamyl acetal
FL/FR
allyl heptanoate
FL/FR
allyl propionate
FL/FR
amyl isobutyrate
FL/FR
amyl isovalerate
FL/FR
iso
amyl valerate
FL/FR
apple ketal
FL/FR
benzyl isovalerate
FL/FR
benzyl propionate
FL/FR
iso
butyl isovalerate
FL/FR
butyl isovalerate
FL/FR
cyclohexyl butyrate
FL/FR
cyclohexyl isovalerate
FL/FR
(E)-alpha-
damascone
FL/FR
eriocephalus punctulatus flower oil
FR
ethyl 2-methyl butyrate
FL/FR
ethyl 3-methyl valerate
FL/FR
ethyl isovalerate
FL/FR
ethyl valerate
FL/FR
fruity ketal
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
2-
methyl butyl butyrate
FL/FR
methyl butyrate
FL/FR
methyl isovalerate
FL/FR
methyl valerate
FL/FR
nonyl isovalerate
FL/FR
propyl heptanoate
FL/FR
iso
propyl isobutyrate
FL/FR
propyl isovalerate
FL/FR
iso
propyl isovalerate
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
galbascone (IFF)
FR
green note propionate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(Z)-3-
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
3-
hexenal
FL/FR
(Z)-3-
hexenal diethyl acetal
FL/FR
(E)-2-
hexenal propylene glycol acetal
FL/FR
3-
hexenyl 2-methyl butyrate
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
pineapple heptadienone 10%
FR
propyl tiglate
FL/FR
sulfurous
ethyl methyl mercaptopropionate
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 isobutyrate
FL/FR
amyl isovalerate
FL/FR
cyclohexyl butyrate
FL/FR
(Z)-alpha-
damascone
FL/FR
ethyl 3-methyl valerate
FL/FR
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
2-
hexyl acetate
FL
nonyl isovalerate
FL/FR
propyl 2-methyl butyrate
FL/FR
iso
propyl isobutyrate
FL/FR
iso
propyl isovalerate
FL/FR
propyl isovalerate
FL/FR
propyl tiglate
FL/FR
alliaceous
alliaceous
allyl propionate
FL/FR
floral
methyl citronellate
FL/FR
fruity
allyl heptanoate
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
alpha-
damascone
FL/FR
(E)-alpha-
damascone
FL/FR
ethyl 2-methyl butyrate
FL/FR
ethyl isovalerate
FL/FR
ethyl valerate
FL/FR
fruity ketal
FL/FR
furfuryl valerate
FL
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
2-
methyl butyl butyrate
FL/FR
methyl isovalerate
FL/FR
methyl valerate
FL/FR
fusel
methyl butyrate
FL/FR
green
iso
butyl isovalerate
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 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(Z)-3-
hexen-1-yl butyrate
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
3-
hexenal
FL/FR
3-
hexenyl 2-methyl butyrate
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
(E)-2-
pentenal
FL/FR
sulfurous
ethyl methyl mercaptopropionate
FL/FR
waxy
ethyl decanoate
FL/FR
3-
octyl formate
FL/FR
propyl heptanoate
FL/FR
 
Potential Uses:
FRapple
FRfruit
 
Occurrence (nature, food, other):note
 apple fruit
Search PMC Picture
 apricot fruit
Search Trop Picture
 hyptis spicigera lam. oil mali @ trace-0.10%
Data GC Search Trop Picture
 mugwort
Search Trop Picture
 pear fruit
Search Trop Picture
 pepper chile pepper
Search Trop Picture
 
Synonyms:
 amyl 2-methylbutyrate
N-amyl 2-methylbutyrate
 amyl-2-methylbutyrate
 butanoic acid, 2-methyl-, pentyl ester
 butyric acid, 2-methyl-, pentyl ester
2-methyl butanoic acid pentyl ester
 pentyl 2-methyl butanoate
 pentyl 2-methyl butyrate
 pentyl 2-methylbutanoate
 pentyl 2-methylbutyrate
 pentyl methyl butyrate
 
 
Notes:
Flavouring compound [Flavornet]
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