isopropyl valerate
pentanoic acid, 1-methylethyl ester
 
Notes:
None found
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      18362-97-5 isoPropyl Valerate
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      Product(s):
      09-59000 ISOPROPYL VALERATE
       
  • SRS Aromatics
    • SRS Aromatics Ltd
      For over 25 years
      Bringing flavour and fragrance into your world.
      As suppliers / distributors of ingredients to the fragrance and flavour industries, our goal is to provide high quality materials at competitive prices with an exceptional level of service. Established in 1984, SRS Aromatics Ltd is an independent family owned business which has become very well-respected within the fragrance and flavour industry as a reliable and trustworthy partner. Over the years this has allowed the company to develop strong relationships with many global manufacturers; several of whom we represent in the UK. A core aim of our business is to work extremely closely with both our suppliers and customers to maximise service levels with minimum disruption to supply.
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      Product(s):
      ISO PROPYL VALERATE
       
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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
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Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
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Pubchem Patents: Search
PubMed: Search
NCBI: Search
DG SANTE Food Flavourings: 09.609  isopropyl valerate
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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
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Organoleptic Properties:
 
Odor Type: fruity
 
 fruity  pineapple  
Odor Description:
at 100.00 %. 
fruity pineapple
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
isoPropyl Valerate
Grau Aromatics
iso-PROPYL-VALERATE
NI, Kosher
Penta International
ISOPROPYL VALERATE
SRS Aromatics
ISO PROPYL VALERATE
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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
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Safety in Use Information:
Category: flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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
Chewing gum (05.0): --
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
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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
AIDS Citations: Search
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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
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References:
 propan-2-yl pentanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 87598
Pubchem (sid): 135044175
Pherobase: View
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (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
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Potential Blenders and core components note
 
For Odor
animal
 methyl (E)-2-octenoateFL/FR
caramellic
 maltyl propionateFL/FR
chemical
 propyl propionateFL/FR
fatty
 allyl octanoateFL/FR
 methyl 2-hexenoateFL/FR
floral
 phenethyl hexanoateFL/FR
2-phenyl propyl isobutyrateFL/FR
fruity
 allyl 10-undecenoateFL/FR
 allyl 3,5,5-trimethyl hexanoateFL/FR
 allyl amyl glycolateFR
 allyl butyrateFL/FR
 allyl cinnamateFL/FR
 allyl cyclohexyl acetateFL/FR
 allyl cyclohexyl butyrateFL/FR
 allyl cyclohexyl propionateFL/FR
 allyl heptanoateFL/FR
 allyl hexanoateFL/FR
 allyl isovalerateFL/FR
 allyl phenoxyacetateFL/FR
 allyl salicylateFR
 allyl sorbateFL/FR
 amyl butyrateFL/FR
 amyl hexanoateFL/FR
isoamyl hexanoateFL/FR
isoamyl isobutyrateFL/FR
isoamyl octanoateFL/FR
isoamyl propionateFL/FR
 amyl propionateFL/FR
 benzyl ethyl etherFL/FR
 benzyl isovalerateFL/FR
isobutyl 2-butenoateFL/FR
isobutyl butyrateFL/FR
 butyl butyrateFL/FR
isobutyl furyl propionateFL/FR
isobutyl hexanoateFL/FR
 butyl hexanoateFL/FR
isobutyl isobutyrateFL/FR
 butyl isobutyrateFL/FR
 butyl isovalerateFL/FR
isobutyl propionateFL/FR
 butyl valerateFL/FR
 cherry pentenoateFL/FR
 cinnamyl isobutyrateFL/FR
 cyclohexyl butyrateFL/FR
 cyclohexyl hexanoateFL/FR
 diethyl malonateFL/FR
 ethyl (Z)-4-octenoateFL/FR
 ethyl 2-methyl butyrateFL/FR
 ethyl 3-(2-furyl) propanoateFL/FR
 ethyl 3-hexenoateFL/FR
 ethyl 3-hydroxyhexanoateFL/FR
 ethyl 3-methyl valerateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
 ethyl butyrateFL/FR
 ethyl cyclohexane propionateFL/FR
 ethyl heptanoateFL/FR
 ethyl hexanoateFL/FR
 ethyl isovalerateFL/FR
 ethyl levulinateFL/FR
 ethyl propionateFL/FR
 ethyl valerateFL/FR
 geranyl isovalerateFL/FR
 green acetateFR
4-heptanoneFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl acetateFL/FR
 linalyl hexanoateFL/FR
 methyl (Z)-4-octenoateFL/FR
 methyl 2-methyl butyrateFL/FR
 methyl 4-methyl valerateFL/FR
 methyl butyrateFL/FR
 methyl hexanoateFL/FR
 methyl isobutyrateFL/FR
 methyl isovalerateFL/FR
 methyl valerateFL/FR
 pineapple hydroxyhexanoateFL/FR
 pineapple pentenoateFL/FR
isopropyl 2-methyl butyrateFL/FR
isopropyl butyrateFL/FR
 propyl butyrateFL/FR
 propyl heptanoateFL/FR
 propyl hexanoateFL/FR
isopropyl hexanoateFL/FR
isopropyl isobutyrateFL/FR
isopropyl isovalerateFL/FR
isopropyl propionateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tropical iononeFL/FR
2-undecanoneFL/FR
 vanilla carboxylateFL/FR
 cognac heptanoneFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl (E)-4-decenoateFL/FR
 galbanum oxyacetateFR
 galbascone (IFF)FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 manzanate (Givaudan)FL/FR
 marigold pot absoluteFL/FR
 methyl (E)-3-hexenoateFL/FR
 phenoxyethyl isobutyrateFL/FR
 pineapple heptadienone 10%FR
 sorbyl isobutyrateFL/FR
 tiglaldehydeFL/FR
herbal
 benzyl octanoateFL/FR
 tagete oil indiaFL/FR
nutty
2-methyl-3-ethoxypyrazineFL/FR
spicy
 cinnamyl isovalerateFL/FR
sulfurous
 ethyl methyl mercaptopropionateFL/FR
tropical
 tropical 3-thiobutyrateFL/FR
2-tropical oxathianeFL/FR
waxy
 allyl nonanoateFL/FR
 
For Flavor
 
No flavor group found for these
 acetaldehyde 1,3-octane diol acetalFL
 allyl 10-undecenoateFL/FR
 allyl 3,5,5-trimethyl hexanoateFL/FR
 allyl cinnamateFL/FR
 allyl cyclohexyl butyrateFL/FR
 allyl sorbateFL/FR
isoamyl 3-methyl thiopropionateFL
 amyl propionateFL/FR
 benzyl ethyl etherFL/FR
 benzyl octanoateFL/FR
 cyclohexyl butyrateFL/FR
 cyclohexyl hexanoateFL/FR
 ethyl 3-methyl valerateFL/FR
 ethyl cyclohexane propionateFL/FR
2-hexenal diethyl acetalFL
 linalyl hexanoateFL/FR
 methyl (Z)-4-octenoateFL/FR
 methyl 2-hexenoateFL/FR
2-methyl-3-ethoxypyrazineFL/FR
2-phenyl propyl isobutyrateFL/FR
isopropyl hexanoateFL/FR
isopropyl isobutyrateFL/FR
isopropyl isovalerateFL/FR
 sorbyl propionateFL
isobutyl furyl propionateFL/FR
 sorbyl isobutyrateFL/FR
caramellic
 maltyl propionateFL/FR
citrus
 cognac heptanoneFL/FR
cooling
 manzanate (Givaudan)FL/FR
estery
 ethyl acetoacetateFL/FR
ethereal
 methyl isobutyrateFL/FR
fatty
 allyl octanoateFL/FR
 ethyl (E)-4-decenoateFL/FR
floral
 tropical iononeFL/FR
fruity
 allyl cyclohexyl acetateFL/FR
 allyl cyclohexyl propionateFL/FR
 allyl heptanoateFL/FR
 allyl hexanoateFL/FR
 allyl isovalerateFL/FR
 allyl phenoxyacetateFL/FR
 amyl butyrateFL/FR
 amyl hexanoateFL/FR
isoamyl hexanoateFL/FR
isoamyl isobutyrateFL/FR
isoamyl octanoateFL/FR
isoamyl propionateFL/FR
 benzyl isovalerateFL/FR
 butyl butyrateFL/FR
isobutyl butyrateFL/FR
isobutyl hexanoateFL/FR
 butyl hexanoateFL/FR
 butyl isobutyrateFL/FR
isobutyl isobutyrateFL/FR
 butyl isovalerateFL/FR
isobutyl propionateFL/FR
 butyl valerateFL/FR
 cherry pentenoateFL/FR
 cinnamyl isobutyrateFL/FR
 cinnamyl isovalerateFL/FR
 diethyl malonateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl (E)-2-octenoateFL
 ethyl (Z)-4-octenoateFL/FR
 ethyl 2-methyl butyrateFL/FR
 ethyl 3-(2-furyl) propanoateFL/FR
 ethyl 3-hexenoateFL/FR
 ethyl 3-hydroxyhexanoateFL/FR
 ethyl butyrateFL/FR
 ethyl heptanoateFL/FR
 ethyl hexanoateFL/FR
 ethyl isovalerateFL/FR
 ethyl levulinateFL/FR
 ethyl propionateFL/FR
 ethyl valerateFL/FR
 furfuryl valerateFL
4-heptanoneFL/FR
 hexyl acetateFL/FR
 methyl (E)-2-octenoateFL/FR
 methyl 2-methyl butyrateFL/FR
 methyl 4-methyl valerateFL/FR
 methyl hexanoateFL/FR
 methyl isovalerateFL/FR
 methyl valerateFL/FR
 pineapple hydroxyhexanoateFL/FR
 pineapple pentenoateFL/FR
isopropyl 2-methyl butyrateFL/FR
isopropyl butyrateFL/FR
 propyl butyrateFL/FR
 propyl hexanoateFL/FR
isopropyl propionateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tiglaldehydeFL/FR
 vanilla carboxylateFL/FR
fusel
 methyl butyrateFL/FR
green
 allyl butyrateFL/FR
isobutyl 2-butenoateFL/FR
2-ethyl butyraldehydeFL
 geranyl isovalerateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(E)-2-hexenal diethyl acetalFL
3-hexenyl 2-methyl butyrateFL/FR
 hexyl (E)-tiglateFL/FR
 marigold pot absoluteFL/FR
 methyl (E)-3-hexenoateFL/FR
4-methyl-2-pentenalFL
 phenoxyethyl isobutyrateFL/FR
herbal
 tagete oil indiaFL/FR
sulfurous
 ethyl methyl mercaptopropionateFL/FR
 methyl 4-(methyl thio) butyrateFL
 tropical 3-thiobutyrateFL/FR
tropical
 propyl propionateFL/FR
2-tropical oxathianeFL/FR
waxy
 allyl nonanoateFL/FR
 phenethyl hexanoateFL/FR
 propyl heptanoateFL/FR
2-undecanoneFL/FR
 
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Potential Uses:
 appleFR
 pineappleFR
 tropicalFL
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 apple cashew apple
Search  PMC Picture
 cheese cheddar cheese
Search  PMC Picture
 vanilla
Search  Picture
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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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