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delta-nonalactone

Chemical Structure

General Material Information

Preferred name delta-nonalactone
Trivial Name δ-Nonalactone
Short Description nonano-1,5-lactone
Formula C9 H16 O2
CAS Number 3301-94-8
FEMA Number 3356
Flavis Number 10.014
ECHA Number 221-974-5
FDA UNII DMB99B4WCF
Nikkaji Number J208.789H
MDL MFCD00286440
COE Number 2194
xLogP3-AA 2.40 (est)
NMR Predictor External link
JECFA Food Flavoring 230 5-hydroxynonanoic acid delta-lactone
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 3301-94-8 ; HYDROXYNONANOIC ACID, DELTA-LACTONE
Synonyms
  • 6-butyl tetrahydro-2H-pyran-2-one
  • 5-butyl-5-hydroxypentanoic acid lactone
  • 5-N- butyl-5-hydroxypentanoic acid lactone
  • 5-butyl-d-valerolactone
  • d- butyl-d-valerolactone
  • 5-butyl-delta-valerolactone
  • 5-N- butyl-delta-valerolactone
  • delta- butyl-delta-valerolactone
  • 6-butyloxan-2-one
  • 6-butyltetrahydro-2H-pyran-2-one
  • hydroxynonanoic acid d-lactone
  • 5-hydroxynonanoic acid d-lactone
  • 5-hydroxynonanoic acid delta-lactone
  • 5-hydroxynonanoic acid lactone
  • d- hydroxypelargonic acid lactone
  • delta- hydroxypelargonic acid lactone
  • 5-nonalactone
  • d- nonalactone
  • nonalactone delta
  • delta- nonalactone FCC
  • delta- nonalactone natural
  • nonano-1,5-lactone
  • nonanoic acid, 5-hydroxy-, d-lactone
  • d- nonanolactone
  • 5-nonanolide
  • 2H- pyran-2-one, 6-butyltetrahydro-
  • 6-butyloxan-2-one
  • 2H-Pyran-2-one, 6-butyltetrahydro-
  • Nonanoic acid, 5-hydroxy-, δ-lactone
  • Nonanoic acid, 5-hydroxy-, lactone
  • 6-Butyltetrahydro-2H-pyran-2-one
  • 5-Hydroxynonanoic acid δ-lactone
  • δ-Nonalactone
  • δ-Butylvalerolactone
  • Nonan-1,5-olide
  • δ-Butyl-δ-valerolactone
  • 5-Nonanolide
  • (±)-δ-Nonalactone
  • (RS)-δ-Nonalactone
  • δ-Nonanolactone

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

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Literature & References

6-butyloxan-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:3301-94-8
Pubchem (cid):18698
Pubchem (sid):134983605
Pherobase:View
Publications by PubMed
Characterization of the most odor-active compounds in an American Bourbon whisky by application of the aroma extract dilution analysis.

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):HMDB31514
FooDB:FDB008107
Export Tariff Code:2932.20.5050
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 156.22491455078
Specific gravity @ 25 °C
Pounds per Gallon 8.271 to 8.313
Refractive Index 1.452 to 1.458 @ 20 °C
Boiling Point 115 to 116°C @ 2 mm Hg
Acid Value 3 max KOH/g
Vapor Pressure 0.018 mmHg @ 25 °C
Vapor Density 1
Flash Point TCC Value 100 °C TCC
logP (o/w) 1.959 est
Solubility
alcohol Yes
dipropylene glycol Yes
water, very slightly Yes
water, 1201 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Coconut
coconut, creamy, sweet, milky, coumarinic, fatty, oily
Odor strength medium
Substantivity > 24 hour(s) at 100.00 %
General comment At 100.00 %. coconut creamy sweet milky coumarin
Mosciano, Gerard P&F 21, No. 3, 51, (1996) Creamy, sweet, coconut, fatty and milky with a coumarinic and oily nuance
Flavor Type: Creamy
creamy, milky, lactonic, dairy, oily, coconut
Mosciano, Gerard P&F 21, No. 3, 51, (1996) At 10.00 ppm. Creamy, milky, lactonic and dairy with an oily, coconut nuance
Excellent for creamy coconut, sweet dairy, especially milk and cream, can also be used for vanilla cream flavors. Characteristic coconut, with sweet dairy cream and vanilla notes
Useful in: brown nuts, dairy, vanilla, savory meat, fruity yellow, fruity tropical, alcoholics. Lactony, coumarin-like, sweet, coconut, creamy
NONALACTONE DELTA has beyond its typical coconut profile, interesting spicy and fruity nuances which are great for dairy, coconut and meat applications. Nice coconut, spicy and fruity notes

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
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:
10 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
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 delta-nonalactone usage levels up to:
5.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 130.00 (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: 6
Click here to view publication 6
average usual ppmaverage maximum ppm
baked goods: -4.00000
beverages(nonalcoholic): -2.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: -2.00000
fish products: --
frozen dairy: -2.00000
fruit ices: -2.00000
gelatins / puddings: -2.00000
granulated sugar: --
gravies: --
hard candy: -4.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: -2.00000
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

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):3301-94-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :18698
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1224
WGK Germany:3
6-butyloxan-2-one
Chemidplus:0003301948