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

isopropyl valerate
pentanoic acid, 1-methylethyl ester

Supplier Sponsors

Name:propan-2-yl pentanoate
CAS Number: 18362-97-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:242-235-3
Nikkaji Web:J101.337H
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
FLAVIS Number:09.609 (Old)
DG SANTE Food Flavourings:09.609 isopropyl valerate
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.85500 to 0.86100 @ 25.00 °C.
Pounds per Gallon - (est).: 7.114 to 7.164
Refractive Index:1.39800 to 1.40400 @ 20.00 °C.
Boiling Point: 165.00 °C. @ 760.00 mm Hg
Vapor Pressure:2.906000 mmHg @ 25.00 °C. (est)
Flash Point: 116.00 °F. TCC ( 46.67 °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
propyl isovalerate
isopropyl isovalerate
rhodinyl isovalerate
terpinyl isovalerate
terpinyl valerate
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium
fruity pineapple
Odor Description:at 100.00 %. fruity pineapple
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
isoPropyl Valerate
Grau Aromatics
iso-PROPYL-VALERATE
NI, Kosher
Penta International
ISOPROPYL VALERATE
SRS Aromatics
isoPROPYL VALERATE
 
Safety Information:
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for isopropyl valerate usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Flavouring Group Evaluation 63 (FGE.63): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th meeting) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (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 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Flavouring Group Evaluation 7, Revision 3 (FGE.07Rev3): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 7, Revision 4 (FGE.07Rev4): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 7, Revision 5 (FGE.07Rev5): saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :87598
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
propan-2-yl pentanoate
Chemidplus:0018362975
 
References:
 propan-2-yl pentanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):87598
Pubchem (sid):135044175
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
animal
methyl (E)-2-octenoate
FL/FR
caramellic
maltyl propionate
FL/FR
chemical
propyl propionate
FL/FR
fatty
allyl octanoate
FL/FR
methyl 2-hexenoate
FL/FR
floral
phenethyl hexanoate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
fruity
allyl 10-undecenoate
FL/FR
allyl 3,5,5-trimethyl hexanoate
FL/FR
allyl amyl glycolate
FR
allyl butyrate
FL/FR
allyl cinnamate
FL/FR
allyl cyclohexyl acetate
FL/FR
allyl cyclohexyl butyrate
FL/FR
allyl cyclohexyl propionate
FL/FR
allyl heptanoate
FL/FR
allyl hexanoate
FL/FR
allyl isovalerate
FL/FR
allyl phenoxyacetate
FL/FR
allyl salicylate
FR
allyl sorbate
FL/FR
amyl butyrate
FL/FR
amyl hexanoate
FL/FR
iso
amyl hexanoate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl octanoate
FL/FR
iso
amyl propionate
FL/FR
amyl propionate
FL/FR
benzyl ethyl ether
FL/FR
benzyl isovalerate
FL/FR
iso
butyl 2-butenoate
FL/FR
iso
butyl butyrate
FL/FR
butyl butyrate
FL/FR
iso
butyl furyl propionate
FL/FR
iso
butyl hexanoate
FL/FR
butyl hexanoate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl isobutyrate
FL/FR
butyl isovalerate
FL/FR
iso
butyl propionate
FL/FR
butyl valerate
FL/FR
cherry pentenoate
FL/FR
cinnamyl isobutyrate
FL/FR
cyclohexyl butyrate
FL/FR
cyclohexyl hexanoate
FL/FR
diethyl malonate
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl (Z)-4-octenoate
FL/FR
ethyl 2-methyl butyrate
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl 3-hydroxyhexanoate
FL/FR
ethyl 3-methyl valerate
FL/FR
ethyl 3,5,5-trimethyl hexanoate
FR
ethyl acetoacetate
FL/FR
ethyl butyrate
FL/FR
ethyl cyclohexane propionate
FL/FR
ethyl heptanoate
FL/FR
ethyl hexanoate
FL/FR
ethyl isovalerate
FL/FR
ethyl levulinate
FL/FR
ethyl propionate
FL/FR
ethyl valerate
FL/FR
geranyl isovalerate
FL/FR
green acetate
FR
4-
heptanone
FL/FR
hexyl (E)-tiglate
FL/FR
hexyl acetate
FL/FR
linalyl hexanoate
FL/FR
methyl (Z)-4-octenoate
FL/FR
methyl 2-methyl butyrate
FL/FR
methyl 4-methyl valerate
FL/FR
methyl butyrate
FL/FR
methyl hexanoate
FL/FR
methyl isobutyrate
FL/FR
methyl isovalerate
FL/FR
methyl valerate
FL/FR
pineapple hydroxyhexanoate
FL/FR
pineapple pentenoate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
iso
propyl butyrate
FL/FR
propyl butyrate
FL/FR
propyl heptanoate
FL/FR
iso
propyl hexanoate
FL/FR
propyl hexanoate
FL/FR
iso
propyl isobutyrate
FL/FR
iso
propyl isovalerate
FL/FR
iso
propyl propionate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
tropical ionone
FL/FR
2-
undecanone
FL/FR
vanilla carboxylate
FL/FR
green
cognac heptanone
FL/FR
ethyl (E)-4-decenoate
FL/FR
galbanum oxyacetate
FR
galbascone (IFF)
FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
manzanate (Givaudan)
FL/FR
marigold pot absolute
FL/FR
methyl (E)-3-hexenoate
FL/FR
phenoxyethyl isobutyrate
FL/FR
pineapple heptadienone 10%
FR
sorbyl isobutyrate
FL/FR
tiglaldehyde
FL/FR
herbal
benzyl octanoate
FL/FR
tagete oil india
FL/FR
nutty
2-
methyl-3-ethoxypyrazine
FL/FR
spicy
cinnamyl isovalerate
FL/FR
sulfurous
ethyl methyl mercaptopropionate
FL/FR
tropical
tropical 3-thiobutyrate
FL/FR
2-
tropical oxathiane
FL/FR
waxy
allyl nonanoate
FL/FR
For Flavor
No flavor group found for these
acetaldehyde 1,3-octane diol acetal
FL
allyl 10-undecenoate
FL/FR
allyl 3,5,5-trimethyl hexanoate
FL/FR
allyl cinnamate
FL/FR
allyl cyclohexyl butyrate
FL/FR
allyl sorbate
FL/FR
iso
amyl 3-methyl thiopropionate
FL
amyl propionate
FL/FR
benzyl ethyl ether
FL/FR
benzyl octanoate
FL/FR
cyclohexyl butyrate
FL/FR
cyclohexyl hexanoate
FL/FR
ethyl 3-methyl valerate
FL/FR
ethyl cyclohexane propionate
FL/FR
2-
hexenal diethyl acetal
FL
linalyl hexanoate
FL/FR
methyl (Z)-4-octenoate
FL/FR
methyl 2-hexenoate
FL/FR
2-
methyl-3-ethoxypyrazine
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
iso
propyl hexanoate
FL/FR
iso
propyl isobutyrate
FL/FR
iso
propyl isovalerate
FL/FR
sorbyl propionate
FL
2-
tropical oxathiane
FL/FR
iso
butyl furyl propionate
FL/FR
sorbyl isobutyrate
FL/FR
caramellic
caramellic
maltyl propionate
FL/FR
citrus
cognac heptanone
FL/FR
cooling
manzanate (Givaudan)
FL/FR
estery
ethyl acetoacetate
FL/FR
ethereal
methyl isobutyrate
FL/FR
fatty
allyl octanoate
FL/FR
ethyl (E)-4-decenoate
FL/FR
floral
tropical ionone
FL/FR
fruity
allyl cyclohexyl acetate
FL/FR
allyl cyclohexyl propionate
FL/FR
allyl heptanoate
FL/FR
allyl hexanoate
FL/FR
allyl isovalerate
FL/FR
allyl phenoxyacetate
FL/FR
amyl butyrate
FL/FR
iso
amyl hexanoate
FL/FR
amyl hexanoate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl octanoate
FL/FR
iso
amyl propionate
FL/FR
benzyl isovalerate
FL/FR
butyl butyrate
FL/FR
iso
butyl butyrate
FL/FR
butyl hexanoate
FL/FR
iso
butyl hexanoate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl isobutyrate
FL/FR
butyl isovalerate
FL/FR
iso
butyl propionate
FL/FR
butyl valerate
FL/FR
cherry pentenoate
FL/FR
cinnamyl isobutyrate
FL/FR
cinnamyl isovalerate
FL/FR
diethyl malonate
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl (E)-2-octenoate
FL
ethyl (Z)-4-octenoate
FL/FR
ethyl 2-methyl butyrate
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl 3-hydroxyhexanoate
FL/FR
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
ethyl hexanoate
FL/FR
ethyl isovalerate
FL/FR
ethyl levulinate
FL/FR
ethyl propionate
FL/FR
ethyl valerate
FL/FR
furfuryl valerate
FL
4-
heptanone
FL/FR
hexyl acetate
FL/FR
methyl (E)-2-octenoate
FL/FR
methyl 2-methyl butyrate
FL/FR
methyl 4-methyl valerate
FL/FR
methyl hexanoate
FL/FR
methyl isovalerate
FL/FR
methyl valerate
FL/FR
pineapple hydroxyhexanoate
FL/FR
pineapple pentenoate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
iso
propyl butyrate
FL/FR
propyl butyrate
FL/FR
propyl hexanoate
FL/FR
iso
propyl propionate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
tiglaldehyde
FL/FR
vanilla carboxylate
FL/FR
fusel
methyl butyrate
FL/FR
green
allyl butyrate
FL/FR
iso
butyl 2-butenoate
FL/FR
2-
ethyl butyraldehyde
FL
geranyl isovalerate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(E)-2-
hexenal diethyl acetal
FL
3-
hexenyl 2-methyl butyrate
FL/FR
hexyl (E)-tiglate
FL/FR
marigold pot absolute
FL/FR
methyl (E)-3-hexenoate
FL/FR
4-
methyl-2-pentenal
FL
phenoxyethyl isobutyrate
FL/FR
herbal
tagete oil india
FL/FR
sulfurous
ethyl methyl mercaptopropionate
FL/FR
methyl 4-(methyl thio) butyrate
FL
tropical 3-thiobutyrate
FL/FR
tropical
propyl propionate
FL/FR
waxy
allyl nonanoate
FL/FR
phenethyl hexanoate
FL/FR
propyl heptanoate
FL/FR
2-
undecanone
FL/FR
 
Potential Uses:
FRapple
FRpineapple
FLtropical
 
Occurrence (nature, food, other):note
 apple cashew apple
Search PMC Picture
 cheese cheddar cheese
Search PMC Picture
 vanilla
Search Picture
 
Synonyms:
 pentanoic acid 1-methyl ethyl ester
 pentanoic acid 1-methylethyl ester
 pentanoic acid, 1-methylethyl ester
 propan-2-yl pentanoate
iso-propyl-valerate
 valeric acid, isopropyl ester
 

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