butyl heptanoate
butyl heptoate
 
Notes:
Flavouring agent used in imitation fruit and beet flavouring. Present in apples
  • 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):
      02-60800 BUTYL HEPTANOATE
       
  • 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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      BUTYL HEPTANOATE
       
Synonyms   Articles   Notes   Search
butyl heptanoate (Click)
CAS Number: 5454-28-4Picture of molecule
ECHA EINECS - REACH Pre-Reg: 226-707-6
FDA UNII: 0Y61V5656M
Nikkaji Web: J115.080D
MDL: MFCD00048898
CoE Number: 363
XlogP3-AA: 3.80 (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
IBM Patents: Obtain
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Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 169  butyl heptanoate
Flavis Number: 09.091 (Old)
DG SANTE Food Flavourings: 09.091  butyl heptanoate
FEMA Number: 2199  butyl heptanoate
FDA Mainterm: BUTYL HEPTANOATE
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.
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.86300 @  25.00 °C.
Melting Point: -67.50 °C. @ 760.00 mm Hg
Boiling Point: 226.20 °C. @ 760.00 mm Hg
Vapor Pressure: 0.090000 mm/Hg @ 25.00 °C.
Flash Point: 188.00 °F. TCC ( 86.67 °C. )
logP (o/w): 4.352 (est)
Soluble in:
 alcohol
 water, 10.87 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
allyl heptanoate
amyl heptanoate
isoamyl heptanoate
benzyl heptanoate
isobutyl heptanoate
decyl heptanoate
ethyl 2-acetyl heptanoate
ethyl heptanoate
eugenyl heptanoate
furfuryl heptanoate
geranyl heptanoate
heptyl heptanoate
(Z)-3-hexen-1-yl heptanoate
hexyl heptanoate
methyl heptanoate
nonyl heptanoate
octyl heptanoate
phenethyl heptanoate
prenyl heptanoate
propyl heptanoate
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Organoleptic Properties:
Odor Type: green
Odor Strength: medium
 green  grassy  marigold  herbal  fruity  apple  
Odor Description:
at 100.00 %. 
cut grass marigold herbal fruity apple
 coconut  
Taste Description:
coconut
  
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Cosmetic Information:
None found
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Suppliers:
Grau Aromatics
BUTYL-HEPTANOATE
NI, Kosher
Inoue Perfumery
BUTYL HEPTANOATE
Parchem
Butyl Heptanoate
Penta International
BUTYL HEPTANOATE
SRS Aromatics
BUTYL HEPTANOATE
Odor: Cut, Grass, Marigold, Herbal, Fruity, Apple
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Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
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 36 - Wear suitable protective clothing.
 
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 butyl heptanoate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.00 (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: 2.0000025.00000
beverages(nonalcoholic): 0.500001.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 2.0000010.00000
fruit ices: 2.0000010.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 2.0000025.00000
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: --
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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):
Flavouring Group Evaluation 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 5454-28-4
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 21596
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 butyl heptanoate
Chemidplus: 0005454284
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References:
 butyl heptanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 5454-28-4
Pubchem (cid): 21596
Pubchem (sid): 134985768
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
FDA Everything Added to Food in the United States (EAFUS): View
HMDB (The Human Metabolome Database): HMDB41559
FooDB: FDB021547
Export Tariff Code: 2915.90.0000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
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Potential Blenders and core components note
 
For Odor
No odor group found for these
 zinc chelate of L-lysinate HCl 
aldehydic
 green hexanalFL/FR
alliaceous
 dibutyl sulfideFL/FR
chocolate
2,5-dimethyl pyrazineFL/FR
citrus
 citronella oil ceylonFL/FR
 citronellal / methyl anthranilate schiff's baseFR
2-heptanolFL/FR
 lemongrass oilFL/FR
 litsea cubeba fruit oilFL/FR
earthy
 octyl phenyl acetateFL/FR
 spathulenol 
ethereal
 ethyl 4-pentenoateFL/FR
fatty
3-decen-2-oneFL/FR
floral
 benzyl acetoneFL/FR
 bois de rose oil brazilFL/FR
 butyl tiglateFR
 cassis cyclohexeneFR
 coranol (Firmenich)FR
gamma-damasconeFR
alpha-damasconeFL/FR
 dihydrolinaloolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
3,6-dimethyl-3-octanolFL/FR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 ethyl linalyl acetateFR
 ethyl linalyl etherFL/FR
 linaloolFL/FR
laevo-linaloolFL/FR
dextro-linaloolFL/FR
 linalool oxideFL/FR
 linalyl anthranilateFL/FR
 methyl citronellateFL/FR
 mimosa absolute franceFL/FR
 muguet shiseolFL/FR
 nonan-3-yl acetateFL/FR
3-nonanoneFL/FR
 palmarosa oilFL/FR
 rose undeceneFR
 tetrahydrolinaloolFL/FR
fruity
 amyl 2-methyl butyrateFL/FR
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
isoamyl valerateFL/FR
para-anisyl propionateFL/FR
 apple ketalFL/FR
 benzyl isovalerateFL/FR
 benzyl propionateFL/FR
isobutyl isovalerateFL/FR
 butyl isovalerateFL/FR
 cyclohexyl butyrateFL/FR
 cyclohexyl isovalerateFL/FR
 ethyl isovalerateFL/FR
 ethyl valerateFL/FR
 fruity ketalFL/FR
 geranyl 2-methyl butyrateFL/FR
 geranyl isovalerateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(Z)-3-hexenal dimethyl acetal 
 hexyl formateFL/FR
2-methyl butyl isovalerateFL/FR
 methyl butyrateFL/FR
 methyl isovalerateFL/FR
 methyl valerateFL/FR
2-methyl-2-pentenalFL/FR
 nonyl isovalerateFL/FR
 prenyl ethyl etherFL/FR
 propyl heptanoateFL/FR
isopropyl isovalerateFL/FR
 propyl isovalerateFL/FR
green
 bark carbaldehydeFR
isobutyl heptanoateFL/FR
isobutyl methyl ketoneFL/FR
sec-butyl-3-methyl but-2-ene thioateFL/FR
alpha-decalactoneFL/FR
2,6-dimethyl octanalFL/FR
3,7-dimethyl-6-octenoic acidFL/FR
(Z)-3-hepten-1-olFL/FR
3-hepten-2-oneFL/FR
 heptyl heptanoateFL/FR
 hexanal (aldehyde C-6)FL/FR
 hexanal dihexyl acetalFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexenalFL/FR
(Z)-3-hexenal diethyl acetalFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl tiglateFL/FR
 lilac acetaldehydeFL/FR
 magnolia flower oilFL/FR
 oakmoss resinFR
(E)-2-pentenalFL/FR
 propylene acetalFL/FR
3,5,5-trimethyl hexanolFL/FR
herbal
isoamyl heptanoateFL/FR
 chamomile propionateFR
 methyl hexyl etherFL/FR
(1S,5R)-myrtenyl acetateFL/FR
 perillaldehydeFL/FR
laevo-perillaldehydeFL/FR
beta-sesquiphellandrene 
 rue flower oil colombia 
 rue oilFL/FR
 rue oil cubaFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil rwandaFL/FR
 tagete oil south africaFL/FR
 tagete oil turkeyFL/FR
 tagete oil zambiaFL/FR
 viridiflorolFL/FR
spicy
 cubeb oilFL/FR
waxy
 ethyl decanoateFL/FR
woody
 cedarwood oil lebanonFR
 marine formateFR
 
For Flavor
 
No flavor group found for these
 amyl 2-methyl butyrateFL/FR
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
para-anisyl propionateFL/FR
 apple ketalFL/FR
 benzyl methyl tiglateFL
isobutyl heptanoateFL/FR
isobutyl isovalerateFL/FR
sec-butyl-3-methyl but-2-ene thioateFL/FR
 cyclohexyl butyrateFL/FR
 cyclohexyl isovalerateFL/FR
alpha-decalactoneFL/FR
 dihydrolinaloolFL/FR
2,6-dimethyl octanalFL/FR
3,6-dimethyl-3-octanolFL/FR
 ethyl 4-pentenoateFL/FR
 ethyl linalyl etherFL/FR
2-ethyl pyridineFL
 fruity ketalFL/FR
3-(2-furyl) acroleinFL
 geranyl 2-methyl butyrateFL/FR
 green hexanalFL/FR
(Z)-3-hepten-1-olFL/FR
2-heptenoic acidFL
 heptyl 2-methyl butyrateFL
 hexanal dihexyl acetalFL/FR
(Z)-3-hexenal diethyl acetalFL/FR
(Z)-3-hexenal dimethyl acetal 
(E)-2-hexenal dimethyl acetalFL
(Z)-3-hexenoic acidFL
 hexyl formateFL/FR
 hexyl tiglateFL/FR
dextro-linaloolFL/FR
laevo-linaloolFL/FR
 linalyl anthranilateFL/FR
 magnolia flower oilFL/FR
3-(methyl thio) hexanalFL
 nonan-3-yl acetateFL/FR
3-nonanoneFL/FR
 nonyl isovalerateFL/FR
(E,E)-3,5-octadien-2-oneFL
 octyl phenyl acetateFL/FR
beta-sesquiphellandrene 
 prenyl ethyl etherFL/FR
 propyl isovalerateFL/FR
isopropyl isovalerateFL/FR
 propylene acetalFL/FR
 rue flower oil colombia 
 spathulenol 
 viridiflorolFL/FR
 zinc chelate of L-lysinate HCl 
aromatic
laevo-perillaldehydeFL/FR
citrus
 citronella oil ceylonFL/FR
 lemongrass oilFL/FR
 linaloolFL/FR
 litsea cubeba fruit oilFL/FR
corn chip
2-acetyl-2-thiazolineFL
creamy
3-hepten-2-oneFL/FR
ethereal
 methyl hexyl etherFL/FR
fatty
3-decen-2-oneFL/FR
floral
 bois de rose oil brazilFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
3,7-dimethyl-6-octenoic acidFL/FR
 methyl citronellateFL/FR
 muguet shiseolFL/FR
 palmarosa oilFL/FR
 tetrahydrolinaloolFL/FR
fruity
isoamyl valerateFL/FR
 benzyl acetoneFL/FR
 benzyl isovalerateFL/FR
 benzyl propionateFL/FR
 butyl isovalerateFL/FR
alpha-damasconeFL/FR
 ethyl isovalerateFL/FR
 ethyl valerateFL/FR
2-heptanolFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 lilac acetaldehydeFL/FR
2-methyl butyl isovalerateFL/FR
 methyl isovalerateFL/FR
 methyl valerateFL/FR
2-methyl-2-pentenalFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil rwandaFL/FR
 tagete oil south africaFL/FR
 tagete oil turkeyFL/FR
 tagete oil zambiaFL/FR
fusel
 methyl butyrateFL/FR
green
isobutyl methyl ketoneFL/FR
 dibutyl sulfideFL/FR
 geranyl isovalerateFL/FR
 heptyl heptanoateFL/FR
 hexanal (aldehyde C-6)FL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexenalFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 linalool oxideFL/FR
(E)-2-pentenalFL/FR
3,5,5-trimethyl hexanolFL/FR
herbal
isoamyl heptanoateFL/FR
 rue oilFL/FR
 rue oil cubaFL/FR
musty
2,5-dimethyl pyrazineFL/FR
spicy
 cubeb oilFL/FR
 perillaldehydeFL/FR
waxy
 ethyl decanoateFL/FR
 mimosa absolute franceFL/FR
 propyl heptanoateFL/FR
woody
(1S,5R)-myrtenyl acetateFL/FR
 
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Potential Uses:
 appleFR
 blackberryFR
 coconutFR
 gingerFR
 green grassFR
 herbalFR
 hops houblonFL/FR
 maltFR
 marigold tageteFL/FR
 mulberryFR
 nutFL
 plumFR
 plum greengage plum 
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Occurrence (nature, food, other): note
 apple fruit
Search  Picture
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Synonyms:
 butyl heptoate
 butyl heptylate
 butyl-heptanoate
 heptanoic acid butyl ester
 heptanoic acid, butyl ester
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