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gamma-heptalactone

Chemical Structure

General Material Information

Preferred name gamma-heptalactone
Trivial Name γ-Heptalactone
Short Description heptano-1,4-lactone
Formula C7 H12 O2
CAS Number 105-21-5
FEMA Number 2539
Flavis Number 10.02
ECHA Number 203-279-9
FDA UNII U4XIN3U7DH
Nikkaji Number J79.443K
Beilstein Number 0109569
MDL MFCD00036498
COE Number 2253
NMR Predictor External link
JECFA Food Flavoring 225 gamma-heptalactone
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 105-21-5 ; GAMMA-HEPTALACTONE
Synonyms
  • dihydro-5-propyl-2(3H)-furanone
  • gamma- eptalactone
  • furan-2-one, dihydro-5-propyl-
  • 2(3H)- furanone, dihydro-5-propyl-
  • gamma- hepta lactone
  • gamma heptalactone
  • gamma- heptalactone FCC
  • heptalactone gamma
  • gamma- heptalactone natural
  • heptan-4-olide
  • heptano-1,4-lactone
  • gamma- heptanolactone
  • (±)-4-heptanolide
  • 1,4-heptanolide
  • 4-heptanolide
  • 4-hydroxyheptanoic acid gamma-lactone
  • 4-hydroxyheptanoic acid lactone
  • gamma- propiobutyrolactone
  • 4-propyl butan-4-olide
  • 5-propyl-2-oxolanone
  • 4-propyl-4-hydroxybutanoic acid lactone
  • 4-N- propyl-4-hydroxybutanoic acid lactone
  • 5-propyl-dihydro-furan-2-one
  • gamma- propyl-gamma-butyrolactone
  • 4-propylbutan-4-olide
  • 5-propyldihydrofuran-2(3H)-one
  • 5-propyloxolan-2-one
  • 5-propyloxolan-2-one
  • 2(3H)-Furanone, dihydro-5-propyl-
  • Heptanoic acid, 4-hydroxy-, γ-lactone
  • Enanthic acid, γ-hydroxy-, lactone
  • γ-Heptalactone
  • γ-Propiobutyrolactone
  • 4-Hydroxyheptanoic acid lactone
  • γ-Heptanolactone
  • γ-Propyl-γ-butyrolactone
  • 4-Propyl-4-butanolide
  • Tetrahydro-5-propyl-2-furanone
  • 4-Heptanolide
  • (±)-γ-Propyl-γ-butyrolactone
  • (±)-4-n-Propylbutyrolactone
  • (RS)-γ-Heptalactone
  • (±)-γ-Heptalactone
  • NSC 46097
  • NSC 46352

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2932.20.5050
VCF-Online:VCF Volatile Compounds in Food
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

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 128.1710357666
Specific gravity @ 25 °C
Pounds per Gallon 8.296 to 8.354
Refractive Index 1.439 to 1.445 @ 20 °C
Boiling Point 61 to 62°C @ 2 mm Hg
Boiling Point 100 to 106°C @ 7 mm Hg
Acid Value 2 max KOH/g
Vapor Pressure 0.083 mmHg @ 25 °C
Vapor Density 1
Flash Point TCC Value 110 °C TCC
logP (o/w) 0.923 est
Solubility
alcohol Yes
fixed oils Yes
water, slightly Yes
water, 1.088e+004 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Coconut
sweet, coconut, nutty, caramellic, tonka, hay, coumarinic, lactonic, creamy, powdery
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 400 hour(s) at 100.00 %
Luebke, William tgsc, (1990) At 10.00 % in dipropylene glycol. sweet coconut nutty caramel tonka hay
Mosciano, Gerard P&F 17, No. 3, 57, (1992) Sweet, coconut, coumarin, Iactonic, creamy and powdery
Flavor Type: Lactonic
sweet, lactonic, creamy, coconut, coumarinic, milky, tobacco
Mosciano, Gerard P&F 17, No. 3, 57, (1992) At 15.00 ppm. Sweet, lactonic, creamy, coconut and coumarin, with milky and tobacco nuances
Sweet lactone notes for vanilla, fresh cream, coconut, coumarin notes for a variety of flavors. Sweet lactonic, hay, coumarin
General comment Sweet, lactonic, creamy, coconut and coumarin, with milky and tobacco nuances

Occurrences

Potential Uses

Applications
Odor purposes Berry, Christmas, Coconut, Cream, Filbert, Floral, Fruit, Gardenia, Herbal, Mango, Maple, Papaya, Passion fruit, Peach, Strawberry, Tobacco, Vanilla
Flavoring purposes Asparagus, Caramel, Leek, Milk, Nut, Tea
Other purposes Trassi
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 38 - Irritating to 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.
Human Experience:
4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
(Moreno, 1977g)

oral-rat LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 703, 1982.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 703, 1982.

Inhalation Toxicity:
Not determined

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 gamma-heptalactone usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 170.00 (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: -26.00000
beverages(nonalcoholic): -18.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -40.00000
fruit ices: -40.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -28.00000
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: --

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) 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

Flavouring Group Evaluation 64 (FGE.64): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (57th meeting) structurally related to 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 evaluated by EFSA in FGE.10Rev1 (EFSA, 2008ab)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 92 (FGE.92): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (68th meeting) structurally related to aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones evaluated by EFSA in FGE.10Rev1 (2009)
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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):105-21-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7742
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
5-propyloxolan-2-one
Chemidplus:0000105215
RTECS:LU3697000 for cas# 105-21-5