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delta-tridecalactone

Chemical Structure

General Material Information

Preferred name delta-tridecalactone
Trivial Name δ-Tridecalactone
Short Description (+-)-6-octyltetrahydro-2H-pyran-2-one
Formula C13 H24 O2
CAS Number 7370-92-5
FEMA Number 4685
Flavis Number 10.058
ECHA Number 230-927-8
FDA UNII WP2V9305A9
Nikkaji Number J212.372J
MDL MFCD00083590
COE Number 10902
NMR Predictor External link
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 7370-92-5 ; (±)-6-OCTYLTETRAHYDRO-2H-PYRAN-2-ONE
Synonyms
  • 6-octyl tetrahydro-2H-pyran-2-one
  • delta- octyl valerolactone
  • 6-octyloxan-2-one
  • (+-)-6-octyltetrahydro-2H-pyran-2-one
  • 6-octyltetrahydro-2H-pyran-2-one
  • delta- octylvalerolactone
  • 2H- pyran-2-one, tetrahydro-6-octyl-
  • tetrahydro-6-octyl-2H-pyran-2-one
  • d- tridecalactone
  • delta- tridecalactone natural
  • tridecano-1,5-lactone
  • d- tridecanolactone
  • delta- tridecanolactone
  • 5-tridecanolide
  • 6-octyloxan-2-one
  • 2H-Pyran-2-one, tetrahydro-6-octyl-
  • Tridecanoic acid, 5-hydroxy-, δ-lactone
  • 5-Hydroxytridecanoic acid δ-lactone
  • δ-Octyl-δ-valerolactone
  • (R,S)-δ-Tridecalactone
  • 5-Tridecanolide
  • δ-Tridecalactone
  • δ-Tridecanolactone
  • 6-Octyltetrahydro-2H-pyran-2-one
  • 6-Octyltetrahydropyran-2-one

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

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Literature & References

6-octyloxan-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:7370-92-5
Pubchem (cid):110977
Pubchem (sid):135067976
Publications by Leffingwell & Associates
Flavor Properties of FEMA GRAS List 25 flavor chemicals

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):Search
Export Tariff Code:2932.20.5050
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 212.33268737793
Specific gravity @ 25 °C
Pounds per Gallon 7.813 to 7.93
Refractive Index 1.455 to 1.463 @ 20 °C
Vapor Pressure 0.001 mmHg @ 25 °C
Flash Point TCC Value 126.5 °C TCC
logP (o/w) 3.997 est
Solubility
alcohol Yes
water, 13.39 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Creamy
creamy, milky, oily, dairy, buttery, musty
Odor strength medium
Substantivity > 366 hour(s) at 100.00 %
General comment At 100.00 %. creamy milky oily dairy buttery musty
Flavor Type: Creamy
creamy, coconut, dairy
General comment Creamy coconut dairy
Useful in all types of dairy flavors, especially milk, cream, butter, toffee, and caramel. Fresh, cream, dairy character

Safety Information

Safety information

Preferred SDS: View
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

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-tridecalactone usage levels up to:
6.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.61 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
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: 25
Click here to view publication 25
average usual ppmaverage maximum ppm
baked goods: 0.500005.00000
beverages(nonalcoholic): 0.100002.00000
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: --
hard candy: --
imitation dairy: 1.0000010.00000
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: 0.500005.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
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
Chewing gum (05.3): --
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): 5.0000025.00000
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

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

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

Scientific Opinion on Flavouring Group Evaluation 10, Revision 3 (FGE.10Rev3): 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 ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :110977
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
6-octyloxan-2-one
Chemidplus:0007370925