3-heptyl dihydro-5-methyl-2(3H)-furanone
3-heptyldihydro-5-methyl-2(3H)-furanone
 
Notes:
Flavouring ingredient
  • Alfrebro
    • Alfrebro LLC
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      Building great taste with aroma chemicals, extracts, and distillates
      The Alfrebro brand was established in the early 1900s by Alex Fries & Brothers, a Cincinnati Flavor Company. In 1980, the brand was re-launched as an aroma chemical manufacturer. Since its inception, Alfrebro’s primary focus has been to provide quality natural and high value synthetic chemicals.
      Email: Sarah Forbis
      Email: Sales
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      Product(s):
      3-HEPTYL DIHYDRO-5-METHYL-2(3H) FURANONE
       
  • 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):
      08-15000 3-HEPTYLDIHYDRO-5-METHYL-2(3H)-FURANONE, Kosher
       
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3-heptyl-5-methyloxolan-2-one (Click)
CAS Number: 40923-64-6Picture of molecule
ECHA EINECS - REACH Pre-Reg: 255-141-2
FDA UNII: B5Z5UJR56Z
Nikkaji Web: J294.790K
CoE Number: 10953
XlogP3-AA: 4.30 (est)
Molecular Weight: 198.30574000
Formula: C12 H22 O2
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: JECFA evaluated 3-heptyldihydro-5-methyl-2(3H)-furanone (CASrn as in Register). (R)- or (S)-enantiomer not specified by Register CASrn.
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
Pubchem Patents: Search
JECFA Food Flavoring: 244  3-heptyldihydro-5-methyl-2(3H)-furanone
Flavis Number: 10.026 (Old)
DG SANTE Food Flavourings: 10.026  3-heptyldihydro-5-methyl-2(3H)-furanone
FEMA Number: 3350  3-heptyldihydro-5-methyl-2(3H)-furanone
FDA Mainterm: 3-HEPTYLDIHYDRO-5-METHYL-2(3H)-FURAN
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 99.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 170.00 °C. @ 17.00 mm Hg
Vapor Pressure: 0.002000 mm/Hg @ 25.00 °C. (est)
Flash Point: 242.00 °F. TCC ( 116.67 °C. )
logP (o/w): 3.496 (est)
Soluble in:
 alcohol
 water, 48 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: creamy
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 creamy  lactonic  green  waxy  
Odor Description:
at 10.00 % in dipropylene glycol. 
creamy lactonic green waxy
 creamy  lactonic  green  waxy  citrus  fruity  
Odor Description:
Creamy, lactonic, green, waxy with a citrus fruity nuance
Mosciano, Gerard P&F 18, No. 4, 51, (1993)
 fruity  green  sweet  creamy  fatty  citrus  
Taste Description:
at 20.00 ppm.  
Fruity, green, sweet, creamy and fatty with a citrus nuance
Mosciano, Gerard P&F 18, No. 4, 51, (1993)
  
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Cosmetic Information:
None found
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Suppliers:
Alfrebro
3-HEPTYL DIHYDRO-5-METHYL-2(3H) FURANONE
Odor: Green, Fatty, Waxy
Parchem
3-heptyl dihydro-5-methyl-2(3H)-furanone
Penta International
3-HEPTYLDIHYDRO-5-METHYL-2(3H)-FURANONE, Kosher
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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
Recommendation for 3-heptyl dihydro-5-methyl-2(3H)-furanone usage levels up to:
  0.8000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.037 (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: 6. Update in publication number(s): 7
Click here to view publication 6
 average usual ppmaverage maximum ppm
baked goods: -1.50000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -1.50000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -1.50000
milk products: -1.50000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -1.50000
sugar substitutes: --
sweet sauces: --
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Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of lactones used as flavor ingredients.View pdf
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) on a request from the Commission related to - Flavouring Group Evaluation 10: Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf
Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 40923-64-6
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 61990
National Institute of Allergy and Infectious Diseases: Data
 3-heptyl-5-methyloxolan-2-one
Chemidplus: 0040923646
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References:
 3-heptyl-5-methyloxolan-2-one
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 40923-64-6
Pubchem (cid): 61990
Pubchem (sid): 135019680
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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): HMDB37813
FooDB: FDB016958
Export Tariff Code: 2932.19.0000
ChemSpider: View
EFSA Update of results on the monitoring of furan levels in food: Read Report
EFSA Previous report: Results on the monitoring of furan levels in food: Read Report
EFSA Report of the CONTAM Panel on provisional findings on furan in food: Read Report
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
aldehydic
 acetyl nonyrylFL/FR
 lily pentanalFR
2-methyl undecanal dimethyl acetalFR
balsamic
isoamyl benzoateFL/FR
buttery
 acetoinFL/FR
 acetyl butyrylFL/FR
 acetyl isobutyrylFL/FR
 acetyl propionylFL/FR
 butyl butyryl lactateFL/FR
caramellic
2-oxobutyric acidFL/FR
 strawberry furanone acetateFL/FR
cheesy
 butyric acidFL/FR
citrus
(E)-2-tetradecenalFL/FR
coconut
 coconut decanone methylFR
delta-decalactoneFL/FR
delta-2-dodecenolactoneFL/FR
delta-nonalactoneFL/FR
gamma-octalactoneFL/FR
delta-undecalactoneFL/FR
creamy
 butyl lactateFL/FR
gamma-butyrolactoneFL/FR
 creamy lactoneFL/FR
para-vanillic acidFL/FR
para-vanillyl alcoholFL/FR
earthy
1-nonen-3-olFL/FR
fatty
(Z)-dairy lactoneFL/FR
 ethyl undecylenateFL/FR
4-methyl octanoic acidFL/FR
(E)-2-octenalFL/FR
fermented
 butyl laevo-lactateFL/FR
floral
 geranyl acetateFL/FR
 hexyl 2-furoateFL/FR
 hydroxycitronellalFL/FR
 hydroxycitronellal dimethyl acetalFL/FR
 jasmin cyclopentanolFR
 methyl dihydrojasmonateFL/FR
fruity
 acetoin acetateFL/FR
 allyl cyclohexyl acetateFL/FR
 cyclohexyl propionateFL/FR
gamma-decalactoneFL/FR
 ethyl 2-octenoateFL/FR
 farnesyl acetoneFL/FR
 grape butyrateFL/FR
 methyl (Z)-5-octenoateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
green
isobutyl benzyl carbinolFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
(Z)-4-hepten-1-olFL/FR
(Z)-4-heptenalFL/FR
(Z)-4-heptenal diethyl acetalFL/FR
 heptyl formateFL/FR
(Z)-3-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl octanoateFL/FR
 hexyl phenyl acetateFL/FR
 melon nonenoateFL/FR
 neryl butyrateFL/FR
(E,Z)-3,6-nonadien-1-yl acetateFL/FR
3,6-nonadien-1-yl acetateFL/FR
(E)-2-nonen-1-olFL/FR
 phenyl acetaldehyde ethylene glycol acetalFR
melon
(Z)-6-nonen-1-olFL/FR
mushroom
3-octen-2-olFL/FR
sweet
 vanilla oleoresin baliFL/FR
tonka
6-amyl-alpha-pyroneFL/FR
 mint lactoneFL/FR
vanilla
ortho-dimethyl hydroquinoneFL/FR
 ethyl vanillinFL/FR
 ethyl vanillin isobutyrateFL/FR
 ethyl vanillin propylene glycol acetalFL/FR
 vanillinFL/FR
 vanillyl acetateFL/FR
 vanillyl isobutyrateFL/FR
 vanillylidene acetoneFL/FR
vegetable
1-furfuryl pyrroleFL/FR
 methionalFL/FR
waxy
 allyl nonanoateFL/FR
 decanal diethyl acetalFL/FR
9-decenoic acidFL/FR
 ethyl palmitateFL/FR
 methyl butyl phenyl acetateFL/FR
(E)-methyl geranateFL/FR
2-methyl heptanoic acidFL/FR
 methyl laurateFL/FR
 methyl octanoateFL/FR
2-nonanolFL/FR
(Z)-3-nonen-1-olFL/FR
 octanolFL/FR
 octyl isobutyrateFL/FR
 phenethyl octanoateFL/FR
delta-tetradecalactoneFL/FR
 undecanoic acidFL/FR
 
For Flavor
 
No flavor group found for these
 allyl methyl trisulfideFL
6-decenoic acidFL
ortho-dimethyl hydroquinoneFL/FR
delta-2-dodecenolactoneFL/FR
 farnesyl acetoneFL/FR
 heptanal 2,3-butane diol acetalFL
 hydroxycitronellal dimethyl acetalFL/FR
 massoia bark oilFL
(E)-methyl geranateFL/FR
2-nonanolFL/FR
(Z)-3-nonen-1-olFL/FR
(R)-tonka furanoneFL
aldehydic
 acetyl nonyrylFL/FR
balsamic
isobutyl benzyl carbinolFL/FR
 vanillylidene acetoneFL/FR
buttery
 butyl laevo-lactateFL/FR
 diacetylFL
cabbage
 methyl 2-thiofuroateFL
coconut
delta-decalactoneFL/FR
(R)-massoia lactoneFL
6-methyl coumarinFL
creamy
 acetoinFL/FR
 acetyl butyrylFL/FR
 acetyl isobutyrylFL/FR
6-amyl-alpha-pyroneFL/FR
 butyl butyryl lactateFL/FR
2-oxobutyric acidFL/FR
 creamy lactoneFL/FR
 mint lactoneFL/FR
delta-nonalactoneFL/FR
 octyl isobutyrateFL/FR
delta-undecalactoneFL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
para-vanillic acidFL/FR
para-vanillyl alcoholFL/FR
dairy
 butyl lactateFL/FR
 methyl (Z)-5-octenoateFL/FR
earthy
1-nonen-3-olFL/FR
fatty
(Z)-dairy lactoneFL/FR
 ethyl undecylenateFL/FR
 heptyl formateFL/FR
4-methyl octanoic acidFL/FR
2,4-octadien-1-olFL
(E)-2-octenalFL/FR
delta-tetradecalactoneFL/FR
floral
 methyl dihydrojasmonateFL/FR
fruity
 acetoin acetateFL/FR
 acetyl isovalerylFL
 allyl cyclohexyl acetateFL/FR
isoamyl benzoateFL/FR
 cyclohexyl propionateFL/FR
gamma-decalactoneFL/FR
 ethyl 2-octenoateFL/FR
 hexyl phenyl acetateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
 phenethyl octanoateFL/FR
green
 geranyl acetateFL/FR
 grape butyrateFL/FR
(Z)-4-hepten-1-olFL/FR
(Z)-4-heptenalFL/FR
(Z)-4-heptenal diethyl acetalFL/FR
(Z)-3-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
 hexyl 2-furoateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl octanoateFL/FR
 melon nonenoateFL/FR
 methyl octanoateFL/FR
 neryl butyrateFL/FR
(E,Z)-3,6-nonadien-1-yl acetateFL/FR
3,6-nonadien-1-yl acetateFL/FR
(E)-2-nonen-1-olFL/FR
juicy
 ethyl (E,Z)-2,4-decadienoateFL/FR
lactonic
gamma-octalactoneFL/FR
leafy
 methyl butyl phenyl acetateFL/FR
milky
gamma-butyrolactoneFL/FR
mushroom
3-octen-2-olFL/FR
sour
 butyric acidFL/FR
spicy
 benzylidene acetoneFL
sweet
 strawberry furanone acetateFL/FR
 vanilla oleoresin baliFL/FR
toasted
 acetyl propionylFL/FR
tomato
 methionalFL/FR
vanilla
 ethyl vanillinFL/FR
 ethyl vanillin isobutyrateFL/FR
 ethyl vanillin propylene glycol acetalFL/FR
 vanillinFL/FR
 vanillyl acetateFL/FR
 vanillyl isobutyrateFL/FR
vegetable
1-furfuryl pyrroleFL/FR
waxy
 allyl nonanoateFL/FR
 decanal diethyl acetalFL/FR
9-decenoic acidFL/FR
 ethyl palmitateFL/FR
 hydroxycitronellalFL/FR
2-methyl heptanoic acidFL/FR
 methyl laurateFL/FR
(Z)-6-nonen-1-olFL/FR
 octanolFL/FR
 octyl 2-furoateFL
(E)-2-tetradecenalFL/FR
 undecanoic acidFL/FR
 
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Potential Uses:
 mangoFR
 melon watermelon muskmelon cantaloupe 
 orangeFR
 peachFR
 pearFR
 tropicalFL
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
2(3H)-furanone, 3-heptyldihydro-5-methyl-
3-heptyl dihydro-5-methyl furan-2(3H)-one
3-heptyl dihydro-5-methyl-2(3H) furanone
3-heptyl-5-methyl oxolan-2-one
3-heptyl-5-methyl-2,3H-furanone
3-heptyl-5-methyldihydrofuran-2(3H)-one
3-heptyl-5-methyloxolan-2-one
alpha-heptyl-gamma-valerolactone
alpha-N-heptyl-gamma-valerolactone
3-heptyldihydro-5-methyl-2(3H)-furanone
3-heptyldihydro-5-methylfuran-2(3H)-one
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