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

propyl isovalerate
isovaleric acid, propyl ester

Sponsors

Name:propyl 3-methylbutanoate
CAS Number: 557-00-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:209-148-2
FDA UNII:802KM69CKR
Nikkaji Web:J429D
Beilstein Number:1747146
MDL:MFCD00048695
CoE Number:443
XlogP3-AA:2.30 (est)
Molecular Weight:144.21392000
Formula:C8 H16 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:197 propyl isovalerate
FLAVIS Number:09.448 (Old)
DG SANTE Food Flavourings:09.448 propyl isovalerate
FEMA Number:2960 propyl isovalerate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: PROPYL ISOVALERATE
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: 96.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 156.00 to 157.00 °C. @ 760.00 mm Hg
Boiling Point: 78.00 to 79.00 °C. @ 50.00 mm Hg
Vapor Pressure:2.906000 mm/Hg @ 25.00 °C. (est)
Vapor Density:4.9 ( Air = 1 )
Flash Point: 90.00 °F. TCC ( 32.22 °C. )
logP (o/w): 2.667 (est)
Soluble in:
 alcohol
 water, 356.7 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl valerate
allyl isovalerate
amyl valerate
amyl isovalerate
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
isopropyl valerate
isopropyl isovalerate
rhodinyl isovalerate
terpinyl isovalerate
terpinyl valerate
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium
bitter sweet apple fruity
Odor Description:at 100.00 %. bitter sweet apple fruity
Odor and/or flavor descriptions from others (if found).
Alfrebro
n-PROPYL ISOVALERATE NATURAL
Odor Description:Sweet, Heavy, Fruity
 
Cosmetic Information:
None found
 
Suppliers:
Alfrebro
n-PROPYL ISOVALERATE NATURAL
Odor: Sweet, Heavy, Fruity
Beijing Lys Chemicals
Propyl isovalerate
BOC Sciences
For experimental / research use only.
Propyl Isovalerate
Charkit Chemical
PROPYL ISOVALERATE P1550 FEMA 2960
ECSA Chemicals
Propyl Isovalerate
Company Profile
Grau Aromatics
PROPYL-iso-VALERATE
NI, Kosher
Inoue Perfumery
PROPYL ISOVALERATE
Jiangyin Healthway
Propyl Isovalerate
New functional food ingredients
Kunshan Sainty
Propyl Isovalerate, Natural
M&U International
NAT.PROPYL ISOVALERATE, Kosher
Naturamole
propyl isovalerate 98% natural EU
Penta International
PROPYL ISOVALERATE, Kosher
Penta International
PROPYL ISOVALERATE, NATURAL, Kosher
Sigma-Aldrich
Propyl isovalerate, natural (US), ≥98%, FG
Odor: sweet; fruity
Certified Food Grade Products
SRS Aromatics
PROPYL ISO VALERATE
Sunaux International
nat.Propyl Isovalerate
Synerzine
Propyl Isovalerate
Taytonn
Propyl Isovalerate
Odor: Bitter, Fruity, Sweet
WEN International
N-PROPYL ISOVALERATE 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-rabbit LD50 8220 mg/kg
(Munch,1972)

oral-rabbit LD50 8222 mg/kg
Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for propyl isovalerate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.70 (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): -5.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -16.00000
fruit ices: -16.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -17.00000
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 :11176
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3272
WGK Germany:3
propyl 3-methylbutanoate
Chemidplus:0000557006
 
References:
 propyl 3-methylbutanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:557-00-6
Pubchem (cid):11176
Pubchem (sid):134977057
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 Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB32047
FooDB:FDB008751
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
gamma-
damascone
FR
(Z)-alpha-
damascone
FL/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 2-methyl butyrate
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
butyl isovalerate
FL/FR
iso
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
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
(Z)-3-
hexen-1-yl valerate
FL/FR
(E)-2-
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 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
herbal
tagete oil egypt
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 2-methyl butyrate
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 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
(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-
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
herbal
tagete oil egypt
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
FRapricot
FRbanana
FRcurrant
FRgooseberry
FLjackfruit
FRpeach
FRpineapple
 
Occurrence (nature, food, other):note
 apple fruit
Search PMC Picture
 banana fruit
Search Trop Picture
 cheese gruyere cheese
Search PMC Picture
 heracleum paphlagonicum czeczott fruit oil turkey @ <0.10%
Data GC Search Trop Picture
 jackfruit
Search Trop Picture
 
Synonyms:
 butanoic acid, 3-methyl-, propyl ester
3-methyl butanoic acid propyl ester
3-methylbutanoic acid propyl ester
 propyl 3-methyl butanoate
 propyl 3-methyl butyrate
 propyl 3-methylbutanoate
 propyl 3-methylbutyrate
 propyl iso valerate
 propyl isopentanoate
N-propyl isovalerate
nat.propyl isovalerate
 propyl isovalerate natural
N-propyl isovalerate natural
 propyl isovalerianate
 propyl-iso-valerate
isovaleric acid propyl ester
isovaleric acid, propyl ester
 
 
Notes:
Used in fruit flavouring. Present in banana, jackfruit and gruyere de comte cheese
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