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

propyl isobutyrate
isobutyric acid, propyl ester

Supplier Sponsors

Name:propyl 2-methylpropanoate
CAS Number: 644-49-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:211-417-4
FDA UNII:Q0080Q3HHP
Nikkaji Web:J47.189E
MDL:MFCD00053781
CoE Number:289
XlogP3-AA:2.10 (est)
Molecular Weight:130.18698000
Formula:C7 H14 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
JECFA Food Flavoring:187 propyl isobutyrate
FLAVIS Number:09.414 (Old)
DG SANTE Food Flavourings:09.414 propyl isobutyrate
FEMA Number:2936 propyl isobutyrate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):644-49-5 ; PROPYL ISOBUTYRATE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.86400 to 0.86600 @ 20.00 °C.
Pounds per Gallon - (est).: 7.198 to 7.214
Refractive Index:1.39400 to 1.39600 @ 20.00 °C.
Boiling Point: 133.00 to 134.00 °C. @ 760.00 mm Hg
Boiling Point: 59.00 to 60.00 °C. @ 50.00 mm Hg
Vapor Pressure:7.853000 mmHg @ 25.00 °C. (est)
Vapor Density:4.4 ( Air = 1 )
Flash Point: 80.00 °F. TCC ( 26.67 °C. )
logP (o/w): 2.158 (est)
Soluble in:
 alcohol
 water, 1070 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium
sweet ripe fruity tropical melon berry
Odor Description:at 100.00 %. sweet ripe fruity tropical melon berry
sweet estery ripe fruity tropical juicy melon berry tutti frutti
Odor Description:at 1.00 %. Sweet, estry, ripe fruity, with tropical and juicy notes. It has melon, berry and red fruit nuances
Mosciano, Gerard P&F 26, No. 2, 40, (2001)
Flavor Type: fruity
sweet fruity ripe tropical tutti frutti citrus melon
Taste Description: at 5.00 - 15.00 ppm. Sweet, fruity, with ripe tropical, tutti frutti and citrus melon nuances
Mosciano, Gerard P&F 26, No. 2, 40, (2001)
Odor and/or flavor descriptions from others (if found).
Alfrebro
n-PROPYL ISOBUTYRATE NATURAL
Odor Description:Powerful, Heavy, Fruity, Pineapple
 
Cosmetic Information:
None found
 
Suppliers:
Alfrebro
n-PROPYL ISOBUTYRATE NATURAL
Odor: Powerful, Heavy, Fruity, Pineapple
Aurochemicals
PROPYL ISOBUTYRATE, Natural
Charkit Chemical
PROPYL ISOBUTYRATE P1500 FEMA 2936
Grau Aromatics
PROPYL-iso-BUTYRATE
NI, Kosher
H. Interdonati, Inc.
Propyl isobutyrate Natural, Kosher
Featured Products
Inoue Perfumery
PROPYL ISOBUTYRATE
Kunshan Sainty
Propyl Isobutyrate, Natural
M&U International
NAT.PROPYL ISOBUTYRATE, Kosher
Penta International
PROPYL ISOBUTYRATE NATURAL
Penta International
PROPYL ISOBUTYRATE
Sigma-Aldrich
Propyl isobutyrate, ≥97%, FG
Odor: pineapple
Certified Food Grade Products
SRS Aromatics
PROPYL ISO BUTYRATE
Sunaux International
nat.Propyl Isobutyrate
Synerzine
n-Propyl Isobutyrate
Taytonn
Propyl Isobutyrate
Odor: Fruity, Sweet, Tropical
TCI AMERICA
For experimental / research use only.
Propyl Isobutyrate >97.0%(GC)
WEN International
N-PROPYL ISOBUTYRATE Natural
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
 
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:
oral-rat LD50 15000 mg/kg
(Jenner et al., 1964)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for propyl isobutyrate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 13.00 (μg/capita/day)
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 3
 average usual ppmaverage maximum ppm
baked goods: -20.00000
beverages(nonalcoholic): -6.80000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -4.80000
fruit ices: -4.80000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -24.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
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 :12571
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3272
WGK Germany:3
propyl 2-methylpropanoate
Chemidplus:0000644495
 
References:
 propyl 2-methylpropanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:644-49-5
Pubchem (cid):12571
Pubchem (sid):134976600
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
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB36209
FooDB:FDB015067
Export Tariff Code:2915.60.5000
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
(E)-5-
nonen-2-one
FL/FR
caramellic
caramellic
maltyl isobutyrate
FL/FR
cheesy
iso
valeric acid
FL/FR
ethereal
butyl acetate
FL/FR
propyl formate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
fatty
(Z)-3-
octen-1-ol
FL/FR
fermented
valeraldehyde
FL/FR
floral
boronia absolute
FL/FR
citronellyl acetate
FL/FR
beta-
ionone
FL/FR
methoxycitronellal
FR
nerolidol
FL/FR
(E)-
nerolidol
FL/FR
phenethyl acetate
FL/FR
phenethyl isovalerate
FL/FR
rose carboxylate
FR
fruity
allyl cyclohexyl acetate
FL/FR
allyl propionate
FL/FR
iso
amyl propionate
FL/FR
amyl valerate
FL/FR
iso
amyl valerate
FL/FR
apple crotonate
FR
apricot fragrance
FR
3-
benzyl-4-heptanone
FL/FR
berry hexanoate
FR
berry pentadienoate
FL/FR
iso
butyl 2-methyl butyrate
FL/FR
butyl hexanoate
FL/FR
butyl isovalerate
FL/FR
iso
butyl propionate
FL/FR
butyl propionate
FL/FR
cherry pentenoate
FL/FR
diethyl sebacate
FL/FR
dihydroactinidolide
FL/FR
ethyl 2-hydroxy-3-methyl valerate
FL/FR
ethyl 2-octenoate
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
ethyl butyrate
FL/FR
ethyl isovalerate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
ethyl propionate
FL/FR
(E)-
ethyl tiglate
FL/FR
heliotropyl isobutyrate
FL/FR
hexyl isovalerate
FL/FR
beta-
ionone epoxide
FL/FR
juicy fruit fragrance
FR
kiwi fragrance
FR
kiwi specialty
FR
methyl 2-methyl butyrate
FL/FR
methyl 2-methyl valerate
FL/FR
2-
methyl butyl acetate
FL/FR
methyl valerate
FL/FR
3-
nonen-2-one
FL/FR
osmanthus flower absolute
FL/FR
passiflora lauriflora fruit extract
CS
pear fragrance
FR
pear specialty
FR
3-
phenyl propyl isobutyrate
FL/FR
pineapple fragrance
FR
pineapple hydroxyhexanoate
FL/FR
pineapple specialty
FR
plum fragrance
FR
prenyl acetate
FL/FR
iso
propenyl acetate
FL/FR
propyl heptanoate
FL/FR
propyl hexanoate
FL/FR
prune specialty
FL/FR
psidium guajava pyrifera fruit extract
FL/FR
solanone
FL/FR
styralyl butyrate
FL/FR
tropical indene
FR
tropical ionone
FL/FR
tropical thiazole
FL/FR
vanilla carboxylate
FL/FR
green
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal dimethyl acetal
FL/FR
heptyl acetate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(Z)-3-
hexen-1-yl pyruvate
FL/FR
3-
hexenyl isovalerate
FL/FR
melon acetal
FL/FR
melon nonenoate
FL/FR
octanal diethyl acetal
FL/FR
(Z)-5-
octen-1-ol
FL/FR
1-
penten-3-ol
FL/FR
thiogeraniol
FL/FR
herbal
iso
amyl heptanoate
FL/FR
viridiflorol
FL/FR
melon
(Z)-6-
nonen-1-yl acetate
FL/FR
(Z)-6-
nonenal
FL/FR
mentholic
menthyl acetate racemic
FL/FR
minty
carvyl acetate
FL/FR
ethyl salicylate
FL/FR
soapy
ambrettolide
FL/FR
spicy
(E)-
tiglic acid
FL/FR
sulfurous
blackberry thiophenone
FL/FR
buchu mercaptan
FL/FR
cassis pentanone
FL/FR
ethyl methyl mercaptopropionate
FL/FR
passiflora acetate
FL/FR
tropical
passiflora edulis fruit extract
FL/FR
passiflora edulis fruit water
FL/FR
psidium guajava fruit extract
FL/FR
tropical 3-thiobutyrate
FL/FR
waxy
iso
amyl laurate
FL/FR
(E)-2-
octen-1-yl butyrate
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
allyl tiglate
FL
iso
amyl 3-methyl thiopropionate
FL
amyl valerate
FL/FR
blackberry thiophenone
FL/FR
dihydroactinidolide
FL/FR
ethyl 2-hydroxy-3-methyl valerate
FL/FR
ethyl 3-octenoate
FL
beta-
ionone epoxide
FL/FR
menthyl acetate racemic
FL/FR
(E)-5-
nonen-2-one
FL/FR
(E)-2-
octen-1-yl butyrate
FL/FR
(E)-2-
octen-4-ol
FL
prune specialty
FL/FR
solanone
FL/FR
viridiflorol
FL/FR
alliaceous
alliaceous
allyl propionate
FL/FR
tropical thiazole
FL/FR
brown
(E)-
tiglic acid
FL/FR
cheesy
iso
valeric acid
FL/FR
ethereal
butyl acetate
FL/FR
iso
propenyl acetate
FL/FR
fatty
iso
amyl laurate
FL/FR
(Z)-3-
octen-1-ol
FL/FR
floral
citronellyl acetate
FL/FR
tropical ionone
FL/FR
fruity
allyl cyclohexyl acetate
FL/FR
iso
amyl propionate
FL/FR
iso
amyl valerate
FL/FR
apricot flavor
FL
3-
benzyl-4-heptanone
FL/FR
berry pentadienoate
FL/FR
boronia absolute
FL/FR
iso
butyl 2-methyl butyrate
FL/FR
butyl hexanoate
FL/FR
butyl isovalerate
FL/FR
iso
butyl propionate
FL/FR
butyl propionate
FL/FR
cherry pentenoate
FL/FR
diethyl sebacate
FL/FR
ethyl 2-octenoate
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
ethyl 3-oxohexanoate
FL
ethyl butyrate
FL/FR
ethyl isovalerate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
ethyl propionate
FL/FR
(E)-
ethyl tiglate
FL/FR
fruit enhancers
FL
furfuryl isovalerate
FL
furfuryl valerate
FL
heliotropyl isobutyrate
FL/FR
methyl 2-methyl butyrate
FL/FR
methyl 2-methyl valerate
FL/FR
2-
methyl butyl acetate
FL/FR
methyl valerate
FL/FR
osmanthus flower absolute
FL/FR
phenethyl isovalerate
FL/FR
3-
phenyl propyl isobutyrate
FL/FR
pineapple hydroxyhexanoate
FL/FR
prenyl acetate
FL/FR
propyl formate
FL/FR
propyl hexanoate
FL/FR
psidium guajava pyrifera fruit extract
FL/FR
styralyl butyrate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
vanilla carboxylate
FL/FR
green
cassis pentanone
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal dimethyl acetal
FL/FR
heptyl acetate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(Z)-3-
hexen-1-yl pyruvate
FL/FR
3-
hexenyl isovalerate
FL/FR
hexyl isovalerate
FL/FR
melon acetal
FL/FR
melon nonenoate
FL/FR
(E)-
nerolidol
FL/FR
nerolidol
FL/FR
(Z)-6-
nonen-1-yl acetate
FL/FR
(Z)-6-
nonenal
FL/FR
2,4-
octadienal
FL
(E,E)-2,4-
octadienal
FL
octanal diethyl acetal
FL/FR
(Z)-5-
octen-1-ol
FL/FR
1-
penten-3-ol
FL/FR
herbal
iso
amyl heptanoate
FL/FR
honey
phenethyl acetate
FL/FR
jammy
maltyl isobutyrate
FL/FR
minty
carvyl acetate
FL/FR
ethyl salicylate
FL/FR
thiogeraniol
FL/FR
oily
3-
nonen-2-one
FL/FR
soapy
ambrettolide
FL/FR
sour
2,4-
dimethyl-2-pentenoic acid
FL
sulfurous
buchu mercaptan
FL/FR
ethyl methyl mercaptopropionate
FL/FR
methyl 2-(methyl thio) butyrate
FL
1-
methyl thio-2-propanone
FL
methyl thiomethyl butyrate
FL
tropical 3-thiobutyrate
FL/FR
tropical
passiflora acetate
FL/FR
passiflora edulis fruit extract
FL/FR
passiflora edulis fruit water
FL/FR
psidium guajava fruit
FL
psidium guajava fruit extract
FL/FR
vegetable
2-
octen-4-one
FL/FR
waxy
propyl heptanoate
FL/FR
winey
valeraldehyde
FL/FR
woody
beta-
ionone
FL/FR
 
Potential Uses:
FRapple
FRbanana
FRcherry
FRgooseberry
FRgrape
FRguava
FRhoney
FRhop
FRmandarin
FRmango
FRmelon
FLolive
FRorange
FRpineapple
FLplum greengage plum
FRplum mirabelle plum
FRsaffron
FRtangerine
 
Occurrence (nature, food, other):note
 apple fruit
Search PMC Picture
 chamomile roman chamomile
Search Trop Picture
 cheese gruyere cheese
Search PMC Picture
 heracleum paphlagonicum czeczott fruit oil turkey @ <0.10%
Data GC Search Trop Picture
 honey
Search PMC Picture
 hop oil
Search Trop Picture
 olive
Search Trop Picture
 
Synonyms:
isobutyric acid N-propyl ester
isobutyric acid propyl ester
isobutyric acid, propyl ester
2-methyl propanoic acid propyl ester
2-methylpropanoic acid propyl ester
 propanoic acid, 2-methyl-, propyl ester
 propyl 2-methyl propanoate
 propyl 2-methylpropanoate
N-propyl 2-methylpropanoate
N-propyl isobutyrate
nat.propyl isobutyrate
 propyl isobutyrate natural
N-propyl isobutyrate natural
N-propyl-2-methylpropanoate
 propyl-iso-butyrate
 
 
Notes:
Used in fruit flavouring
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