isopropyl hexanoate
hexanoic acid, isopropyl ester
 
Notes:
Present in wine grapes, strawberry, starfruit (Averrhoa carambala), blue cheeses, gruyere de comte cheese and Parmesan cheese. Flavouring ingredient
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      2311-46-8 isoPropyl Hexanoate
       
  • CJ Latta & Associates
    • CJ Latta & Associates, LLC
      Extensive Line
      Aromatic Chemicals and Organic Acids.
      CJ Latta & Associates is a distributor of specialty aromatics and organic acids used in the formulation of flavors and fragrance manufactured worldwide. We pride ourselves on our reputation for, fair pricing, quality and reliability. We’ve built our business on successfully sourcing and developing many challenging specialty chemicals and fine ingredients for our clients.
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      US Email: Chip Latta
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      US Email: Chip Latta
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      Product(s):
      ISOPROPYL CAPROATE
       
  • Lluch Essence
    • Lluch Essence S.L.
      A family company dedicated to sales and distribution
      Flexibility, availability, price and quality.
      Flexibility, availability, price and quality make LLUCH ESSENCE S.L. one of Europe’s references when it comes to essential oils and aroma chemicals, and it is now well known all around the world.
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      Product(s):
      ISOPROPYL CAPROATE 98%
       
  • 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):
      09-54100 ISOPROPYL CAPROATE
       
  • 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 CAPROATE
       
  • Synerzine
    • Synerzine, Inc.
      Innovation. Customization. Aroma Ingredients.
      Synerzine is a leading supplier of flavor and fragrance ingredients.
      Synerzine expresses what we have grown to embody as an organization - the synergy and connection between raw ingredients, science, technology, and the final product. Our experienced team is passionate about bringing our customers high-quality innovative ingredients that they can trust.
      Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster.
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      Product(s):
      W100 isoPropyl Hexanoate
       
  • TCI AMERICA
    • TCI AMERICA
      Moving Your Chemistry Forward
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      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 70 years of synthesis experience and multi-purpose plants enable TCI to offer more than 30,000 products as well as custom synthesis.
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      Product(s):
      C0841 isoPropyl Hexanoate >98.0%(GC)
       
  • Ernesto Ventós
Synonyms   Articles   Notes   Search
CAS Number: 2311-46-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 219-000-9
FDA UNII: 84AO2UI60U
Nikkaji Web: J149.309D
MDL: MFCD00059436
CoE Number: 312
XlogP3-AA: 2.80 (est)
Molecular Weight: 158.24086000
Formula: C9 H18 O2
NMR Predictor: Predict (works with chrome, Edge 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: 308  isopropyl hexanoate
DG SANTE Food Flavourings: 09.062  isopropyl hexanoate
FEMA Number: 2950 isopropyl hexanoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):2311-46-8 ; ISOPROPYL HEXANOATE
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.
Synonyms   Articles   Notes   Search   Top
Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 172.00 to  173.00 °C. @ 760.00 mm Hg
Boiling Point: 74.00 °C. @ 20.00 mm Hg
Vapor Pressure: 1.090000 mmHg @ 25.00 °C. (est)
Flash Point: 120.00 °F. TCC ( 48.89 °C. )
logP (o/w): 3.177 (est)
Soluble in:
 alcohol
 water, 117.8 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
allyl hexanoate
allyl thiohexanoate
amyl hexanoate
isoamyl hexanoate
para-anisyl hexanoate
benzyl hexanoate
butyl hexanoate
isobutyl hexanoate
sec-butyl hexanoate
cinnamyl hexanoate
citronellyl hexanoate
meta-cresyl hexanoate
para-cresyl hexanoate
cyclohexyl hexanoate
decyl hexanoate
dimethyl benzyl carbinyl hexanoate
ethyl 2-acetyl hexanoate
ethyl hexanoate
furfuryl hexanoate
geranyl hexanoate
heptyl hexanoate
sec-heptyl hexanoate
(E)-3-hexen-1-yl hexanoate
(E)-2-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl hexanoate
hexyl hexanoate
linalyl hexanoate
menthyl hexanoate
3-mercaptohexyl hexanoate
2-methyl butyl hexanoate
methyl hexanoate
methyl thiohexanoate
neryl hexanoate
octyl hexanoate
(Z)-2-penten-1-yl hexanoate
phenethyl hexanoate
3-phenyl propyl hexanoate
prenyl hexanoate
propyl hexanoate
sulfuryl hexanoate
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
 
Odor Type: fruity
 
 fruity  pineapple  loganberry  berry  
Odor Description:
at 10.00 % in dipropylene glycol. 
fruity pineapple loganberry berry
 berry  
Taste Description:
berry
 
Odor and/or flavor descriptions from others (if found).
 
Ernesto Ventós
IsoPROPYL HEXANOATE
Odor Description: SWEET, FRUITY. PINEAPPLE
Taste Description: berry
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
Synonyms   Articles   Notes   Search   Top
Suppliers:
BOC Sciences
For experimental / research use only.
isoPropyl Hexanoate
CJ Latta & Associates
ISOPROPYL CAPROATE
Ernesto Ventós
IsoPROPYL HEXANOATE
Odor: SWEET, FRUITY. PINEAPPLE
Grau Aromatics
iso-PROPYL-CAPROATE (iso-PROPYLHEXANOATE)
NI, Kosher
Inoue Perfumery
isoPROPYL HEXANOATE
Lluch Essence
ISOPROPYL CAPROATE 98%
Odor: FRUITY, BERRY, SWEET
Penta International
ISOPROPYL CAPROATE
Santa Cruz Biotechnology
For experimental / research use only.
isoPropyl Hexanoate
SRS Aromatics
ISO PROPYL CAPROATE
Synerzine
isoPropyl Hexanoate
TCI AMERICA
For experimental / research use only.
isoPropyl Hexanoate >98.0%(GC)
Synonyms   Articles   Notes   Search   Top
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
Synonyms   Articles   Notes   Search   Top
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 hexanoate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 3.20 (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
Click here to view publication 3
 average usual ppmaverage maximum ppm
baked goods: 20.0000040.00000
beverages(nonalcoholic): -0.50000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 5.5000010.00000
fruit ices: 5.5000010.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 20.0000040.00000
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: --
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 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
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 16832
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 propan-2-yl hexanoate
Chemidplus: 0002311468
Synonyms   Articles   Notes   Search   Top
References:
 propan-2-yl hexanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 2311-46-8
Pubchem (cid): 16832
Pubchem (sid): 134982702
Flavornet: 2311-46-8
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
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB40430
FooDB: FDB020163
Export Tariff Code: 2915.90.5050
Typical G.C.
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
(E)-5-nonen-2-oneFL/FR
alliaceous
 methyl furfuryl disulfideFL/FR
amber
 ambrette seed absoluteFL/FR
animal
 methyl (E)-2-octenoateFL/FR
caramellic
 maltyl isobutyrateFL/FR
 heptanoic acidFL/FR
chemical
 propyl propionateFL/FR
ethereal
 propyl formateFL/FR
 propyl valerateFL/FR
fatty
 allyl decanoateFL/FR
 allyl octanoateFL/FR
 methyl 2-hexenoateFL/FR
fermented
 valeraldehydeFL/FR
floral
alpha-damasconeFL/FR
 geranyl valerateFL/FR
 helichrysum bracteatum flower oilFR
beta-iononeFL/FR
 nerolin fragarolFL/FR
 rose carboxylateFR
fruity
 allyl 10-undecenoateFL/FR
 allyl 3,5,5-trimethyl hexanoateFL/FR
 allyl cinnamateFL/FR
 allyl cyclohexyl acetateFL/FR
 allyl cyclohexyl butyrateFL/FR
 allyl cyclohexyl propionateFL/FR
 allyl heptanoateFL/FR
 allyl hexanoateFL/FR
 allyl sorbateFL/FR
(E,E)-allyl sorbateFL/FR
 amyl hexanoateFL/FR
 amyl propionateFL/FR
 benzyl butyrateFL/FR
 benzyl ethyl etherFL/FR
3-benzyl-4-heptanoneFL/FR
 berry hexanoateFR
isobutyl (E)-2-butenoate 
isobutyl 2-butenoateFL/FR
isobutyl butyrateFL/FR
 butyl butyrateFL/FR
isobutyl hexanoateFL/FR
 butyl hexanoateFL/FR
isobutyl isobutyrateFL/FR
 butyl isovalerateFL/FR
 butyl valerateFL/FR
 cinnamyl isobutyrateFL/FR
 cyclohexyl hexanoateFL/FR
 ethyl (Z)-4-octenoateFL/FR
 ethyl 2-hydroxy-3-methyl valerateFL/FR
 ethyl 3-(2-furyl) propanoateFL/FR
 ethyl 3-hexenoateFL/FR
 ethyl 3-methyl valerateFL/FR
 ethyl 5-hydroxyoctanoateFL/FR
 ethyl butyrateFL/FR
 ethyl cyclohexane propionateFL/FR
 ethyl heptanoateFL/FR
 ethyl hexanoateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 ethyl-2-cyclopentenyl acetateFR
 heliotropyl isobutyrateFL/FR
beta-ionone epoxideFL/FR
 methyl (Z)-4-octenoateFL/FR
 methyl 2-methyl valerateFL/FR
 methyl hexanoateFL/FR
 methyl isovalerateFL/FR
3-nonen-2-oneFL/FR
 osmanthus flower absoluteFL/FR
 pineapple hydroxyhexanoateFL/FR
isopropenyl acetateFL/FR
isopropyl isobutyrateFL/FR
isopropyl isovalerateFL/FR
 styralyl butyrateFL/FR
 vanilla carboxylateFL/FR
 galbanum oxyacetateFR
 galbascone (IFF)FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 pineapple heptadienone 10%FR
 spirogalbanone (Givaudan)FR
 thiogeraniolFL/FR
herbal
 herbal undecanoneFR
mentholic
 menthyl acetate racemicFL/FR
nutty
2-methyl-3-ethoxypyrazineFL/FR
soapy
 ambrettolideFL/FR
sulfurous
 blackberry thiophenoneFL/FR
 buchu mercaptanFL/FR
 ethyl methyl mercaptopropionateFL/FR
tropical
 pina colada fragranceFR
 tropical 3-thiobutyrateFL/FR
waxy
 ethyl octanoateFL/FR
(E)-2-octen-1-yl butyrateFL/FR
 
For Flavor
 
No flavor group found for these
 allyl 10-undecenoateFL/FR
 allyl 3,5,5-trimethyl hexanoateFL/FR
 allyl cinnamateFL/FR
 allyl cyclohexyl butyrateFL/FR
 allyl cyclohexyl valerateFL
(E,E)-allyl sorbateFL/FR
 allyl sorbateFL/FR
 allyl tiglateFL
isoamyl 3-methyl thiopropionateFL
 amyl propionateFL/FR
 benzyl ethyl etherFL/FR
 blackberry thiophenoneFL/FR
 cyclohexyl hexanoateFL/FR
9-decen-2-oneFL
 ethyl 2-hydroxy-3-methyl valerateFL/FR
 ethyl 3-methyl valerateFL/FR
 ethyl 5-hydroxyoctanoateFL/FR
 ethyl cyclohexane propionateFL/FR
 ethyl cyclohexyl carboxylateFL
 geranyl valerateFL/FR
beta-ionone epoxideFL/FR
 menthyl acetate racemicFL/FR
 methyl (Z)-4-octenoateFL/FR
 methyl 2-hexenoateFL/FR
2-methyl-3-ethoxypyrazineFL/FR
(E)-5-nonen-2-oneFL/FR
(E)-2-octen-1-yl butyrateFL/FR
(E)-2-octen-4-olFL
isopropyl isobutyrateFL/FR
isopropyl isovalerateFL/FR
 propyl valerateFL/FR
 sorbyl propionateFL
coffee
 methyl furfuryl disulfideFL/FR
ethereal
isopropenyl acetateFL/FR
fatty
 allyl octanoateFL/FR
fruity
 allyl cyclohexyl acetateFL/FR
 allyl cyclohexyl propionateFL/FR
 allyl decanoateFL/FR
 allyl heptanoateFL/FR
 allyl hexanoateFL/FR
 amyl hexanoateFL/FR
 benzyl butyrateFL/FR
3-benzyl-4-heptanoneFL/FR
 butyl butyrateFL/FR
isobutyl butyrateFL/FR
isobutyl hexanoateFL/FR
 butyl hexanoateFL/FR
isobutyl isobutyrateFL/FR
 butyl isovalerateFL/FR
 butyl valerateFL/FR
 cinnamyl isobutyrateFL/FR
alpha-damasconeFL/FR
 ethyl (Z)-4-octenoateFL/FR
 ethyl 3-(2-furyl) propanoateFL/FR
 ethyl 3-hexenoateFL/FR
 ethyl 3-oxohexanoateFL
 ethyl butyrateFL/FR
 ethyl heptanoateFL/FR
 ethyl hexanoateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 furfuryl isovalerateFL
 furfuryl valerateFL
 heliotropyl isobutyrateFL/FR
 methionyl butyrateFL
 methyl (E)-2-octenoateFL/FR
 methyl 2-methyl valerateFL/FR
 methyl hexanoateFL/FR
 methyl isovalerateFL/FR
(methyl thio) methyl hexanoateFL
 nerolin fragarolFL/FR
 osmanthus flower absoluteFL/FR
 pineapple hydroxyhexanoateFL/FR
 propyl formateFL/FR
 styralyl butyrateFL/FR
 vanilla carboxylateFL/FR
green
isobutyl 2-butenoateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 thiogeraniolFL/FR
jammy
 maltyl isobutyrateFL/FR
oily
3-nonen-2-oneFL/FR
soapy
 ambrettolideFL/FR
sulfurous
 buchu mercaptanFL/FR
 ethyl methyl mercaptopropionateFL/FR
 methyl 4-(methyl thio) butyrateFL
 tropical 3-thiobutyrateFL/FR
tropical
 propyl propionateFL/FR
waxy
isobutyl (E)-2-butenoate 
 ethyl octanoateFL/FR
 heptanoic acidFL/FR
winey
 valeraldehydeFL/FR
woody
 ambrette seed absoluteFL/FR
beta-iononeFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 appleFR
 bananaFR
 berryFR
 cheese blue cheeseFL
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 cheese bleu cheese
Search  PMC Picture
 cheese gruyere cheese
Search  PMC Picture
 cheese parmesan cheese
Search  PMC Picture
 grape
Search Trop  Picture
 heracleum paphlagonicum czeczott fruit oil turkey @ <0.01%
Data  GC  Search Trop  Picture
 star fruit fruit
Search Trop  Picture
 strawberry wild strawberry fruit
Search Trop  Picture
 wood smoke
Search  Picture
Synonyms   Articles   Notes   Search   Top
Synonyms:
 caproic acid isopropyl ester
 hexanoic acid 1-methyl ethyl ester
 hexanoic acid 1-methylethyl ester
 hexanoic acid isopropyl ester
 hexanoic acid, 1-methylethyl ester
 hexanoic acid, isopropyl ester
1-methyl ethyl hexanoate
1-methylethyl hexanoate
 propan-2-yl hexanoate
isopropyl caproate
isopropyl capronate
isopropyl hexylate
iso-propyl-caproate (iso-propylhexanoate)
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Synonyms   Articles   Notes   Search   Top
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