isopropyl octanoate
octanoic acid, 1-methylethyl ester
 
Notes:
None found
  • CTC Organics
    • CTC Organics
      For More Than 40 Year
      Your source for rare aroma chemicals for the flavor and fragrance industy.
      “The world is run by middle men.” The number of times I have heard Dr. Liu utter those words are innumerable. He loved reciting and recording famous quotes and had many of his own. Among his many talents, Dr. Liu had a unique genius in the area of chemistry. He had an uncanny understanding of the pulse of the chemical industry and was a superb salesman.
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      Product(s):
      W0922 isopropyl octanoate
       
  • 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.
      US Email: Technical Services
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      Product(s):
      09-56000 ISOPROPYL OCTANOATE
       
  • TCI AMERICA
    • TCI AMERICA
      Moving Your Chemistry Forward
      We continuously strive to advance our technology.
      Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 60 years of synthesis experience and multi-purpose plants enable TCI to offer more than 27,000 products as well as custom synthesis. TCI established overseas facilities in North America, Europe, China and India to serve customers worldwide.
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      Product(s):
      O0157 isoPropyl n-Octanoate >97.0%(GC)
       
Synonyms   Articles   Notes   Search
propan-2-yl octanoate (Click)
CAS Number: 5458-59-3Picture of molecule
ECHA EINECS - REACH Pre-Reg: 226-721-2
FDA UNII: GHK5I7U9ZD
Nikkaji Web: J150.386C
MDL: MFCD00059256
CoE Number: 10731
XlogP3: 3.90 (est)
Molecular Weight: 186.29474000
Formula: C11 H22 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: 09.608 (Old)
DG SANTE Food Flavourings: 09.608  isopropyl octanoate
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.85300 to 0.85900 @  25.00 °C.
Pounds per Gallon - (est).: 7.098 to  7.148
Refractive Index: 1.41400 to 1.42000 @  20.00 °C.
Melting Point: 12.00 to  13.00 °C. @ 760.00 mm Hg
Boiling Point: 214.00 to  215.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.158000 mm/Hg @ 25.00 °C. (est)
Flash Point: 181.00 °F. TCC ( 82.78 °C. )
logP (o/w): 4.196 (est)
Soluble in:
 alcohol
 water, 12.56 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
allyl octanoate
amyl octanoate
isoamyl octanoate
benzyl octanoate
butyl octanoate
isobutyl octanoate
citronellyl octanoate
ortho-cresyl octanoate
para-cresyl octanoate
decyl octanoate
ethyl 4-methyl octanoate
ethyl octanoate
furfuryl octanoate
geranyl octanoate
heptyl octanoate
(E)-2-hexen-1-yl octanoate
(Z)-3-hexen-1-yl octanoate
hexyl octanoate
linalyl octanoate
2-methyl butyl octanoate
methyl octanoate
nonyl octanoate
octyl octanoate
phenethyl octanoate
propyl octanoate
sulfuryl octanoate
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
Odor Type: fruity
Odor Strength: medium
 fruity  banana  coconut  cognac  
Odor Description:
at 100.00 %. 
carao banana coconut cognac
 fruity  sweet  winey  
Taste Description:
at 40.00 ppm in water.  
fruity sweet winey
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
CTC Organics
isopropyl octanoate
Inoue Perfumery
isoPROPYL OCTANOATE
Penta International
ISOPROPYL OCTANOATE
Sigma-Aldrich: Aldrich
For experimental / research use only.
isoPropyl Octanoate
TCI AMERICA
For experimental / research use only.
isoPropyl n-Octanoate >97.0%(GC)
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Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
 
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
Recommendation for isopropyl octanoate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.30 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (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): --
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): 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
Synonyms   Articles   Notes   Search   Top
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 : 21606
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 propan-2-yl octanoate
Chemidplus: 0005458593
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References:
 propan-2-yl octanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 5458-59-3
Pubchem (cid): 21606
Pubchem (sid): 134985777
Pherobase: View
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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: 2915.90.5000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
2,2,3-trimethyl cyclopentane ethanol 
animal
 costus valerolactoneFR
anisic
 ethyl para-anisateFL/FR
caramellic
 maple furanoneFL/FR
 shoyu furanoneFL/FR
cheesy
2-heptanoneFL/FR
chemical
isobutyl formateFL/FR
 propyl propionateFL/FR
citrus
2-ethyl-1-hexanolFL/FR
bitter orange peel oil brazilFL/FR
coconut
 coconut decanone methylFR
 coconut naphthalenoneFL/FR
delta-decalactoneFL/FR
delta-2-dodecenolactoneFL/FR
gamma-heptalactoneFL/FR
delta-heptalactoneFL/FR
 hexahydrocoumarinCS
delta-nonalactoneFL/FR
gamma-nonalactone (aldehyde C-18 (so-called))FL/FR
gamma-octalactoneFL/FR
delta-octalactoneFL/FR
 tetrahydrojasmoneFR
delta-undecalactoneFL/FR
 wine lactoneFL/FR
coumarinic
 phthalideFL/FR
creamy
 creamy lactoneFL/FR
ethereal
 butyl acetateFL/FR
 cyclohexyl formateFL/FR
 decyl propionateFL/FR
 ethyl acetateFL/FR
 ethyl formateFL/FR
isopropyl acetateFL/FR
isopropyl formateFL/FR
fatty
 lauric acidFL/FR
fermented
isobutyl decanoateFL/FR
 hexanal diethyl acetalFL/FR
3-methyl-1-pentanolFL/FR
floral
 acetophenoneFL/FR
 benzyl acetoacetateFL/FR
 benzyl isobutyrateFL/FR
 citronellyl anthranilateFL/FR
 dihydrojasmone lactoneFL/FR
 heliotropinFL/FR
 hexenyl cyclopentanoneFR
 jasmin lactone (IFF)FL/FR
 linalyl butyrateFL/FR
2-pentyl cyclopentanoneFR
 rose oil (rosa damascena) russiaFL/FR
 rose oil (rosa damascena) turkeyFL/FR
 terpinyl valerateFL/FR
fruity
 allyl isovalerateFL/FR
 allyl salicylateFR
isoamyl acetateFL/FR
 amyl acetateFL/FR
 amyl butyrateFL/FR
isoamyl decanoateFL/FR
 amyl heptanoateFL/FR
isoamyl hexanoateFL/FR
isoamyl octanoateFL/FR
isoamyl propionateFL/FR
isobutyl acetoacetateFL/FR
 butyl butyrateFL/FR
 cyclohexyl isovalerateFL/FR
 cyclohexyl propionateFL/FR
gamma-decalactoneFL/FR
 ethyl 3-(2-furyl) propanoateFL/FR
 ethyl 3-hydroxyhexanoateFL/FR
 ethyl benzoyl acetateFL/FR
2-ethyl butyl acetateFL/FR
 ethyl butyrateFL/FR
 ethyl heptanoateFL/FR
 ethyl isovalerateFL/FR
 ethyl lactateFL/FR
 ethyl propionateFL/FR
(E,E)-ethyl sorbateFL/FR
 furfuryl acetateFL/FR
4-heptanoneFL/FR
2-hexen-1-olFL/FR
2-hexyl butyrate 
4-hydroxybenzyl alcoholFL/FR
 linalyl isobutyrateFL/FR
 menthyl isovalerateFL/FR
 methyl (Z)-5-octenoateFL/FR
 methyl 4-methyl valerateFL/FR
 methyl anthranilateFL/FR
 methyl heptanoateFL/FR
2-pentyl butyrateFL/FR
 prenyl acetateFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl butyrateFL/FR
 propyl hexanoateFL/FR
 strawberry glycidate 2FL/FR
 tropical iononeFL/FR
 vanilla carboxylateFL/FR
green
alpha-decalactoneFL/FR
(E)-2-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
3-hexenyl acetateFL/FR
 hexyl isobutyrateFL/FR
(E)-2-octen-1-olFL/FR
2-octen-1-olFL/FR
herbal
 anthemis nobilis flower oil romanFL/FR
2-pentyl acetateFL/FR
soapy
 ethyl undecanoateFL/FR
spicy
 methyl heptadienoneFL/FR
(E)-propyl 2-furan acrylateFL/FR
tonka
6-amyl-alpha-pyroneFL/FR
gamma-hexalactoneFL/FR
7-methyl coumarinCS
 mint lactoneFL/FR
 whiskey lactoneFL/FR
tropical
delta-dodecalactoneFL/FR
 glyceryl 5-hydroxydecanoateFL/FR
 glyceryl 5-hydroxydodecanoateFL/FR
waxy
1-dodecanolFL/FR
 ethyl decanoateFL/FR
 methyl laurateFL/FR
 myristyl alcoholFL/FR
2-tridecanoneFL/FR
 undecanoic acidFL/FR
 
For Flavor
 
No flavor group found for these
sec-butyl acetateFL
isobutyl decanoateFL/FR
 coconut naphthalenoneFL/FR
alpha-decalactoneFL/FR
 decyl propionateFL/FR
 diethyl maleateFL
 dimethyl benzofuranoneFL
delta-2-dodecenolactoneFL/FR
delta-heptalactoneFL/FR
 hexanal diethyl acetalFL/FR
3-hexenyl acetateFL/FR
2-hexyl butyrate 
 jasmin lactone (IFF)FL/FR
 lauric acidFL/FR
 massoia bark oilFL
 myristyl alcoholFL/FR
4-octen-3-oneFL
(R)-tonka furanoneFL
 wine lactoneFL/FR
 benzyl acetoacetateFL/FR
acidic
(E)-2-hexenoic acidFL
anise
 ethyl para-anisateFL/FR
berry
2,2,3-trimethyl cyclopentane ethanol 
caramellic
 maple furanoneFL/FR
 shoyu furanoneFL/FR
cheesy
2-heptanoneFL/FR
cherry
 heliotropinFL/FR
citrus
2-pentyl acetateFL/FR
coconut
delta-decalactoneFL/FR
(R)-massoia lactoneFL
6-methyl coumarinFL
gamma-nonalactone (aldehyde C-18 (so-called))FL/FR
delta-octalactoneFL/FR
coumarinic
 phthalideFL/FR
creamy
6-amyl-alpha-pyroneFL/FR
 creamy lactoneFL/FR
5,5-dibutyl dihydrofuran-2(3H)-oneFL
delta-dodecalactoneFL/FR
 glyceryl 5-hydroxydecanoateFL/FR
 glyceryl 5-hydroxydodecanoateFL/FR
gamma-hexalactoneFL/FR
 mint lactoneFL/FR
delta-nonalactoneFL/FR
delta-undecalactoneFL/FR
dairy
 methyl (Z)-5-octenoateFL/FR
estery
 furfuryl acetateFL/FR
ethereal
 butyl acetateFL/FR
 ethyl acetateFL/FR
 ethyl formateFL/FR
isopropyl acetateFL/FR
fatty
2-ethyl-1-hexanolFL/FR
2-octen-1-olFL/FR
(E)-2-octen-1-olFL/FR
2-tridecanoneFL/FR
floral
 linalyl butyrateFL/FR
 linalyl isobutyrateFL/FR
 rose oil (rosa damascena) russiaFL/FR
 rose oil (rosa damascena) turkeyFL/FR
 tropical iononeFL/FR
fruity
 allyl isovalerateFL/FR
isoamyl acetateFL/FR
 amyl acetateFL/FR
 amyl butyrateFL/FR
isoamyl decanoateFL/FR
 amyl heptanoateFL/FR
isoamyl hexanoateFL/FR
isoamyl octanoateFL/FR
isoamyl propionateFL/FR
 benzyl isobutyrateFL/FR
isobutyl acetoacetateFL/FR
 butyl butyrateFL/FR
 citronellyl anthranilateFL/FR
 cyclohexyl isovalerateFL/FR
 cyclohexyl propionateFL/FR
gamma-decalactoneFL/FR
 ethyl 3-(2-furyl) propanoateFL/FR
 ethyl 3-hydroxyhexanoateFL/FR
 ethyl benzoyl acetateFL/FR
2-ethyl butyl acetateFL/FR
 ethyl butyrateFL/FR
 ethyl heptanoateFL/FR
 ethyl isovalerateFL/FR
 ethyl lactateFL/FR
 ethyl propionateFL/FR
(E,E)-ethyl sorbateFL/FR
2-furyl pentyl ketoneFL
4-heptanoneFL/FR
2-hexen-1-olFL/FR
4-hydroxybenzyl alcoholFL/FR
 menthyl isovalerateFL/FR
 methyl 4-methyl valerateFL/FR
 methyl anthranilateFL/FR
 methyl heptanoateFL/FR
(E,E)-methyl sorbateFL
bitter orange peel oil brazilFL/FR
2-pentyl butyrateFL/FR
 prenyl acetateFL/FR
(E)-propyl 2-furan acrylateFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl butyrateFL/FR
isopropyl formateFL/FR
 propyl hexanoateFL/FR
 strawberry glycidate 2FL/FR
 terpinyl valerateFL/FR
 vanilla carboxylateFL/FR
green
 cyclohexyl formateFL/FR
(E)-2-heptenalFL
(E)-2-hexen-1-yl valerateFL/FR
 hexyl isobutyrateFL/FR
 methyl heptadienoneFL/FR
4-methyl-2-pentenalFL
herbal
 anthemis nobilis flower oil romanFL/FR
lactonic
gamma-heptalactoneFL/FR
gamma-octalactoneFL/FR
powdery
 acetophenoneFL/FR
rummy
isobutyl formateFL/FR
(E)-2-hexen-1-yl formateFL/FR
soapy
1-dodecanolFL/FR
sulfurous
S-ethyl thioacetateFL
tropical
 propyl propionateFL/FR
waxy
 dihydrojasmone lactoneFL/FR
 ethyl decanoateFL/FR
 ethyl undecanoateFL/FR
 methyl laurateFL/FR
 undecanoic acidFL/FR
whiskey
3-methyl-1-pentanolFL/FR
woody
 whiskey lactoneFL/FR
 
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Potential Uses:
 bananaFR
 chocolate cacao 
 pina coladaFR
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Occurrence (nature, food, other): note
 cheese bleu cheese
Search  Picture
 nectarine
Search  Picture
 strawberry wild strawberry fruit
Search Trop  Picture
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Synonyms:
 octanoic acid 1-methyl ethyl ester
 octanoic acid 1-methylethyl ester
 octanoic acid isopropyl ester
N-octanoic acid isopropyl ester
 octanoic acid, 1-methylethyl ester
 propan-2-yl octanoate
isopropyl N-octanoate
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Articles:
 None found yet.
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