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delta-octalactone

Chemical Structure

General Material Information

Preferred name delta-octalactone
Trivial Name δ-Octalactone
Short Description octano-1,5-lactone
Formula C8 H14 O2
CAS Number 698-76-0
FEMA Number 3214
Flavis Number 10.015
ECHA Number 211-820-5
FDA UNII 8AA944C37V
Nikkaji Number J39.630C
Beilstein Number 0111515
MDL MFCD00144051
COE Number 2195
xLogP3-AA 1.90 (est)
NMR Predictor External link
JECFA Food Flavoring 228 delta-octalactone
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 698-76-0 ; DELTA-OCTALACTONE
Synonyms
  • 5-hydroxyoctanoic acid lactone
  • 5-octalactone
  • d- octalactone
  • octalactone delta
  • delta- octalactone FCC
  • delta- octalactone natural
  • delta- octalactone, natural
  • octano-1,5-lactone
  • octanoic acid, 5-hydroxy-, lactone
  • d- octanolactone
  • 5-octanolide
  • 5-propyl-5-hydroxypentanoic acid lactone
  • d- propyl-d-valerolactone
  • delta- propyl-delta-valerolactone
  • 6-propyloxan-2-one
  • 6-propyltetrahydro-2H-pyran-2-one
  • 2H- pyran-2-one, tetrahydro-6-propyl-
  • tetrahydro-6-propyl-2H-pyran-2-one
  • 6-propyloxan-2-one
  • 2H-Pyran-2-one, tetrahydro-6-propyl-
  • Octanoic acid, 5-hydroxy-, δ-lactone
  • 5-Hydroxyoctanoic acid lactone
  • 5-Hydroxyoctanoic acid δ-lactone
  • δ-Octalactone
  • δ-Propyl-δ-valerolactone
  • 5-Octanolide
  • (±)-δ-Octalactone
  • (RS)-δ-Octalactone
  • δ-Octanolactone

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

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Literature & References

6-propyloxan-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:698-76-0
Pubchem (cid):12777
Pubchem (sid):134976795
Flavornet:698-76-0
Pherobase:View
Publications by Perfumer & Flavorist
Flavor Bites: d-Octalactone
Publications by PubMed
Influence of harvest maturity and fruit logistics on pineapple (Ananas comosus [L.] Merr.) volatiles assessed by headspace solid phase microextraction and gas chromatography-mass spectrometry (HS-SPME-GC/MS).
Aroma volatile compounds from two fresh pineapple varieties in china.
Comparison of sugar, acids, and volatile composition in raspberry bushy dwarf virus-resistant transgenic raspberries and the wild type 'meeker' (rubus idaeus L.).
Volatile composition in raspberry cultivars grown in the Pacific Northwest determined by stir bar sorptive extraction-gas chromatography-mass spectrometry.
Repellent properties of delta-octalactone against the tsetse fly, Glossina morsitans morsitans.
Effect of cold storage and packaging material on the major aroma components of sweet cream butter.
Responses of Glossina morsitans morsitans to blends of electroantennographically active compounds in the odors of its preferred (buffalo and ox) and nonpreferred (waterbuck) hosts.
Flavor composition of cashew (Anacardium occidentale) and marmeleiro (Croton species) honeys.
Odor composition of preferred (buffalo and ox) and nonpreferred (waterbuck) hosts of some Savanna tsetse flies.
Lipase-catalysed resolution of gamma- and delta-lactones.

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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
FooDB:FDB016871
YMDB (Yeast Metabolome Database):YMDB01669
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 142.19798278809
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 117°C @ 12 mm Hg
Vapor Pressure 0.039 mmHg @ 25 °C
Flash Point TCC Value 93.33 °C TCC
logP (o/w) 1.45 est
Shelf life 24 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
water, 3632 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Coconut
sweet, fatty, coconut, tonka, tropical, dairy, creamy, coumarinic, lactonic, green
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 400 hour(s) at 100.00 %
Luebke, William tgsc, (1998) At 10.00 % in dipropylene glycol. sweet fatty coconut tonka tropical dairy
Mosciano, Gerard P&F 21, No. 3, 51, (1996) Sweet, coconut, creamy, coumarin and lactonic with a green, fatty nuance
Flavor Type: Coconut
coconut, sweet, creamy, lactonic, fruity, milky, oily
Mosciano, Gerard P&F 21, No. 3, 51, (1996) At 10.00 ppm. Coconut, sweet, creamy, lactonic and fruity with a milky and oily depth
Used for hay notes in cocunut meat, cream, and vanilla flavors. Slightly creamy, lactone, hay-like
OCTALACTONE DELTA has a very characteristic coconut character with fruity nuances which are excellent for dairy and fruit flavors. Nice coconut cream tonka 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 37/39 - Wear suitable gloves and eye/face protection.
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:
oral-rat LD50 > 5000 mg/kg
(Moreno, 1977h)

oral-rat LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 783, 1980.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 783, 1980.

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-octalactone usage levels up to:
12.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 230.00 (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: 4
Click here to view publication 4
average usual ppmaverage maximum ppm
baked goods: -20.00000
beverages(nonalcoholic): -20.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: -20.00000
fish products: --
frozen dairy: -20.00000
fruit ices: -20.00000
gelatins / puddings: -20.00000
granulated sugar: --
gravies: --
hard candy: -20.00000
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: -20.00000
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):698-76-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12777
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
6-propyloxan-2-one
Chemidplus:0000698760
RTECS:UQ1355500 for cas# 698-76-0