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

propyl 2-methyl butyrate
butanoic acid, 2-methyl-, propyl ester

Sponsors

CAS Number: 37064-20-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:253-329-9
Nikkaji Web:J183.078C
MDL:MFCD00085211
CoE Number:10891
XlogP3-AA:2.40 (est)
Molecular Weight:144.21392000
Formula:C8 H16 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:09.698 (Old)
DG SANTE Food Flavourings:09.698 propyl 2-methylbutyrate
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.86200 to 0.86800 @ 25.00 °C.
Pounds per Gallon - (est).: 7.173 to 7.223
Refractive Index:1.39900 to 1.40600 @ 20.00 °C.
Boiling Point: 155.00 to 156.00 °C. @ 760.00 mm Hg
Vapor Pressure:2.906000 mm/Hg @ 25.00 °C. (est)
Flash Point: 92.00 °F. TCC ( 33.33 °C. )
logP (o/w): 2.667 (est)
Soluble in:
 alcohol
 water, 356.7 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
isoamyl 2-methyl butyrate
amyl 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
octyl 2-methyl butyrate
isopropyl 2-methyl butyrate
propylene glycol di-2-methyl butyrate
propylene glycol mono-2-methyl butyrate
 
Organoleptic Properties:
Odor Description:winey
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Aurochemicals
PROPYL-2-METHYL BUTYRATE, Natural
BOC Sciences
For experimental / research use only.
Propyl 2-methylbutyrate
Grau Aromatics
PROPYL-2-METHYLBUTYRATE
NI, Kosher
Inoue Perfumery
PROPYL 2-METHYL BUTYRATE
Jiangyin Healthway
D-Propyl 2-methylbutyrate
New functional food ingredients
Kunshan Sainty
Propyl 2-methylbutyrate, Natural
M&U International
NAT.PROPYL 2-METHYLBUTYRATE, Kosher
Penta International
PROPYL-2-METHYL BUTYRATE, Kosher
Penta International
PROPYL-2-METHYL BUTYRATE, NATURAL, Kosher
Sigma-Aldrich: Aldrich
For experimental / research use only.
Propyl 2-methylbutanoate
SRS Aromatics
PROPYL 2 METHYL BUTYRATE
Sunaux International
nat.Propyl 2-methylbutyrate
Synerzine
Propyl 2-methylbutyrate
TCI AMERICA
For experimental / research use only.
Propyl 2-methylbutyrate >98.0%(GC)
 
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 propyl 2-methyl butyrate usage levels up to:
  0.8000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (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): 10.0000050.00000
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 ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :162239
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
propyl 2-methylbutanoate
Chemidplus:0037064203
 
References:
 propyl 2-methylbutanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:37064-20-3
Pubchem (cid):162239
Pubchem (sid):135117840
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:2916.19.3000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
balsamic
cinnamyl butyrate
FL/FR
caramellic
diethyl malate
FL/FR
ethereal
methyl acetate
FL/FR
fermented
hexanal diethyl acetal
FL/FR
methyl decanoate
FL/FR
floral
alpha-
damascone
FL/FR
(Z)-alpha-
damascone
FL/FR
gamma-
damascone
FR
methyl citronellate
FL/FR
octyl isovalerate
FL/FR
fruity
acetaldehyde hexyl isoamyl acetal
FL/FR
acetoin acetate
FL/FR
allyl isovalerate
FL/FR
amyl 2-methyl butyrate
FL/FR
iso
amyl hexanoate
FL/FR
amyl isobutyrate
FL/FR
amyl isovalerate
FL/FR
apple ketal
FL/FR
benzyl isovalerate
FL/FR
butyl anthranilate
FL/FR
butyl isovalerate
FL/FR
cyclohexyl butyrate
FL/FR
(E)-alpha-
damascone
FL/FR
dodecyl propionate
FL/FR
eriocephalus punctulatus flower oil
FR
ethyl 2-ethyl acetoacetate
FL/FR
ethyl isovalerate
FL/FR
ethyl valerate
FL/FR
farnesyl acetone
FL/FR
fruity ketal
FL/FR
geranyl 2-methyl butyrate
FL/FR
geranyl acetoacetate
FL/FR
heptyl isobutyrate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl isovalerate
FL/FR
methyl 2-methyl valerate
FL/FR
2-
methyl butyl butyrate
FL/FR
methyl isobutyrate
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
green
butyl heptanoate
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
ethyl (E)-4-decenoate
FL/FR
green note propionate
FL/FR
(E)-2-
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
(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
herbal
iso
amyl tiglate
FL/FR
ethyl chrysanthemate
FR
honey
methyl hydrocinnamate
FL/FR
waxy
allyl nonanoate
FL/FR
ethyl decanoate
FL/FR
winey
butyl angelate
FL/FR
2-
hexanol
FL/FR
methyl 3-acetoxyoctanoate
FL/FR
woody
kaempferia galanga rhizome oil
FL/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 isobutyrate
FL/FR
amyl isovalerate
FL/FR
iso
amyl tiglate
FL/FR
butyl angelate
FL/FR
2-
butyl furan
FL
cyclohexyl butyrate
FL/FR
(Z)-alpha-
damascone
FL/FR
diethyl malate
FL/FR
dodecyl propionate
FL/FR
ethyl 3-hydroxyoctanoate
FL
farnesyl acetone
FL/FR
geranyl 2-methyl butyrate
FL/FR
geranyl acetoacetate
FL/FR
hexanal diethyl acetal
FL/FR
2-
hexanol
FL/FR
(E)-3-
hexenal
FL
(E)-2-
hexenal propylene glycol acetal
FL/FR
2-
hexyl acetate
FL
methyl 3-acetoxyoctanoate
FL/FR
methyl hydrocinnamate
FL/FR
nonyl isovalerate
FL/FR
octyl isovalerate
FL/FR
oenanthic ether
FL
iso
propyl isovalerate
FL/FR
propyl isovalerate
FL/FR
propyl tiglate
FL/FR
berry
berry
heptyl isobutyrate
FL/FR
camphoreous
kaempferia galanga rhizome oil
FL/FR
ethereal
methyl acetate
FL/FR
methyl isobutyrate
FL/FR
fatty
ethyl (E)-4-decenoate
FL/FR
methyl decanoate
FL/FR
floral
methyl citronellate
FL/FR
fruity
acetoin acetate
FL/FR
allyl isovalerate
FL/FR
iso
amyl hexanoate
FL/FR
apple ketal
FL/FR
benzyl isovalerate
FL/FR
butyl anthranilate
FL/FR
butyl heptanoate
FL/FR
butyl isovalerate
FL/FR
(E)-alpha-
damascone
FL/FR
alpha-
damascone
FL/FR
ethyl 2-ethyl acetoacetate
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
methyl 2-methyl valerate
FL/FR
2-
methyl butyl butyrate
FL/FR
methyl isovalerate
FL/FR
green
ethyl (E,Z)-2,4-decadienoate
FL/FR
green note propionate
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 isobutyrate
FL/FR
hexyl isovalerate
FL/FR
methyl (E)-3-hexenoate
FL/FR
(E)-2-
pentenal
FL/FR
waxy
allyl nonanoate
FL/FR
ethyl decanoate
FL/FR
3-
octyl formate
FL/FR
propyl heptanoate
FL/FR
winey
cinnamyl butyrate
FL/FR
 
Potential Uses:
FRapple
FLdurian
FRmint
 
Occurrence (nature, food, other):note
 apple fruit - trace amount
Search PMC Picture
 beer
Search PMC Picture
 buckthorn sea buckthorn
Search Trop Picture
 chamomile flower oil germany @ trace%
Data GC Search Trop Picture
 cheese
Search PMC Picture
 durian fruit
Search Trop Picture
 meat
Search PMC Picture
 mint
Search Trop Picture
 star fruit fruit
Search Trop Picture
 tea black tea
Search Trop Picture
 
Synonyms:
 butanoic acid, 2-methyl-, propyl ester
 butyric acid, 2-methyl-, propyl ester
2-methyl butanoic acid propyl ester
2-methylbutanoic acid propyl ester
N-propyl 2-methyl butyrate
 propyl 2-methylbutanoate
 propyl 2-methylbutyrate
nat.propyl 2-methylbutyrate
 propyl-2-methyl butyrate
 propyl-2-methyl butyrate natural
 propyl-2-methylbutyrate
 
 
Notes:
None found
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