heptyl isovalerate
3-methylbutanoic acid heptyl ester
 
Notes:
None found
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      56423-43-9 Heptyl isovalerate
       
  • 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):
      W01711 Heptyl Isovalerate
       
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CAS Number: 56423-43-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 260-170-9
FDA UNII: 479G1Y20YZ
Nikkaji Web: J183.049J
MDL: MFCD03939565
CoE Number: 10667
XlogP3: 4.20 (est)
Molecular Weight: 200.32168000
Formula: C12 H24 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: 09.392 (Old)
DG SANTE Food Flavourings: 09.392  heptyl isovalerate
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.86200 to 0.86800 @  25.00 °C.
Pounds per Gallon - (est).: 7.173 to  7.223
Refractive Index: 1.42200 to 1.42800 @  20.00 °C.
Boiling Point: 230.00 to  232.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.061000 mmHg @ 25.00 °C. (est)
Flash Point: 201.00 °F. TCC ( 93.89 °C. )
logP (o/w): 4.705 (est)
Soluble in:
 alcohol
 water, 4.064 mg/L @ 25 °C (est)
Insoluble in:
 water
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(E)-2-hepten-1-yl isovalerate
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(E)-2-hexen-1-yl valerate
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(Z)-3-hexen-1-yl valerate
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hexyl valerate
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linalyl valerate
linalyl isovalerate
menthyl valerate
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2-methyl butyl isovalerate
4-methyl pentyl isovalerate
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Organoleptic Properties:
 
Odor Type: fruity
 
 fruity  woody  animal  
Odor Description:
at 100.00 %. 
fruity woody animal
 
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.
Heptyl isovalerate
Inoue Perfumery
HEPTYL ISOVALERATE
Sigma-Aldrich: Aldrich
For experimental / research use only.
Heptyl Isovalerate
Synerzine
Heptyl Isovalerate
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Safety Information:
 
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
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 2300 (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): --
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
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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 1, Revision 1 (FGE.01Rev 1): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2 (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 01 Rev2 (FGE.01 Rev2): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 91850
National Institute of Allergy and Infectious Diseases: Data
 heptyl 3-methylbutanoate
Chemidplus: 0056423439
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References:
 heptyl 3-methylbutanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 91850
Pubchem (sid): 135048535
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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
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
amber
 ambergris fragranceFR
 ambreine fragranceFR
balsamic
 ambrene specialtyFR
isobornyl propionateFL/FR
 fir carboxylateFR
scotch pine wood/needles resinoidFR
 tolu balsam replacerFR
berry
 raspberry ketone methyl etherFL/FR
earthy
 orris specialtyFR
fatty
 hexyl pivalateFR
floral
 anise indeneFR
 benzaldehyde propylene glycol acetalFL/FR
 boronia absoluteFL/FR
 boronia absolute replacerFL/FR
 boronia fragranceFR
 bursera graveolens wood oilFL/FR
 cananga oilFL/FR
2,4-dimethyl cyclohexyl methyl acetateFR
 ionone mixed isomersFL/FR
 linalyl propionateFL/FR
N-methyl iononeFR
1-(octahydro-4,7-methanoinden-5-yl)-propan-2-one + 1-(6-methyloctahydro-4,7-methanoinden-5-yl)-ethanone 
 orris fragranceFR
fruity
 brandy extractFL/FR
 buchu wood specialtyFL/FR
 davana flower oilFL/FR
1-(3,3-dimethyl bicyclo(2.2.1)hept-2-yl)-2-methyl cyclohex-3-ene carbaldehydeFR
1,4-dimethyl bicyclo(3.2.1)oct-3-yl acetateFR
1,2-dimethyl butyl 2-butenoateFR
trans-1-ethyl-2-methyl propyl 2-butenoateFL/FR
1-ethyl-2-methyl propyl chrysanthemumate 
1-ethyl-2-methyl propyl tiglate 
 geranyl acetoacetateFL/FR
 green acetateFR
alpha-ionyl ethyl ether 
 methyl (Z)-5-octenoateFL/FR
 octyl propionateFL/FR
2-pentanoneFL/FR
 perillyl acetateFL/FR
 pineapple hydroxyhexanoateFL/FR
1,3,3,5-tetramethyl-7 and 8-acetyl bicyclo(2.2.2)oct-5-ene 
1,3,3,5-tetramethyl-7 and 8-cyanobicyclo(2.2.2)octane 
herbal
 bornyl 2-methyl butyrateFL/FR
 bornyl butyrateFL/FR
 bursera graveolens wood 
 herbal specialtyFR
 herbal undecanoneFR
 methyl cyclogeranate (Firmenich)FR
beta-sesquiphellandrene 
 tricyclodecenyl propionateFR
spicy
 clove bud absoluteFL/FR
 clove bud oilFL/FR
 clove bud oil replacerFR
 clove fragranceFR
N,N-diethyl octanamideFR
 green oxaneFR
 pepper tree berry oil CO2 extractFL/FR
waxy
 orris rhizome oil CO2 extractFL/FR
woody
4-(3,3-dimethyl bicyclo(2.2.1)hept-2-yl)-1-methyl-2-oxabicyclo(2.2.2)octaneFR
 melozol acetateFR
 myrtenyl isobutyrate 
2-N-propoxy-3(5)-methyl pyrazine 
 spicy pentanoneFL/FR
1-(5',5',6'-trimethyl bicyclo(2.2.1)hept-2'-ylidene) propan-2-oneFR
 trimethyl cyclohexyl acetyl cyclopentanoneFR
 
For Flavor
 
No flavor group found for these
 bornyl 2-methyl butyrateFL/FR
 bornyl butyrateFL/FR
 boronia absolute replacerFL/FR
 buchu wood specialtyFL/FR
 bursera graveolens wood 
 bursera graveolens wood oilFL/FR
 costus root absoluteFL
 davana flower oilFL/FR
trans-1-ethyl-2-methyl propyl 2-butenoateFL/FR
1-ethyl-2-methyl propyl chrysanthemumate 
1-ethyl-2-methyl propyl tiglate 
 ionone mixed isomersFL/FR
alpha-ionyl ethyl ether 
 myrtenyl isobutyrate 
1-(octahydro-4,7-methanoinden-5-yl)-propan-2-one + 1-(6-methyloctahydro-4,7-methanoinden-5-yl)-ethanone 
beta-sesquiphellandrene 
2-N-propoxy-3(5)-methyl pyrazine 
1,3,3,5-tetramethyl-7 and 8-acetyl bicyclo(2.2.2)oct-5-ene 
1,3,3,5-tetramethyl-7 and 8-cyanobicyclo(2.2.2)octane 
balsamic
isobornyl propionateFL/FR
berry
 perillyl acetateFL/FR
 raspberry ketone methyl etherFL/FR
dairy
 methyl (Z)-5-octenoateFL/FR
estery
 octyl propionateFL/FR
floral
 cananga oilFL/FR
fruity
 benzaldehyde propylene glycol acetalFL/FR
 boronia absoluteFL/FR
 brandy extractFL/FR
2-pentanoneFL/FR
 pineapple hydroxyhexanoateFL/FR
 spicy pentanoneFL/FR
herbal
 linalyl propionateFL/FR
musty
 geranyl acetoacetateFL/FR
spicy
 clove bud absoluteFL/FR
 clove bud oilFL/FR
 pepper tree berry oil CO2 extractFL/FR
woody
 orris rhizome oil CO2 extractFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 osmanthus absolute @ trace%
Data  GC  Search Trop  Picture
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Synonyms:
 butanoic acid, 3-methyl-, heptyl ester
 heptyl 3-methyl butyrate
 heptyl 3-methylbutanoate
 heptyl 3-methylbutyrate
 heptyl isopentanoate
3-methyl butanoic acid heptyl ester
3-methylbutanoic acid heptyl ester
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Articles:
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