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epsilon-decalactone

Chemical Structure

General Material Information

Preferred name epsilon-decalactone
Trivial Name ε-Decalactone
Short Description decano-1,6-lactone
Formula C10 H18 O2
CAS Number 5579-78-2
Deleted CAS Number 80445-36-9
FEMA Number 3613
Flavis Number 10.029
ECHA Number 226-963-9
FDA UNII 662W32KL4O
Nikkaji Number J78.703E
Beilstein Number 0117541
MDL MFCD00209538
xLogP3-AA 2.80 (est)
NMR Predictor External link
JECFA Food Flavoring 241 epsilon-decalactone
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 5579-78-2 ; EPSILON-DECALACTONE
Synonyms
  • 6-butyl hexanolide
  • 7-butyl oxepan-2-one
  • butyl oxepanone
  • 7-butyl-2-oxepanone
  • 6-butylhexanolide
  • 7-butyloxepan-2-one
  • epsilon- decalactone
  • decano-1,6-lactone
  • 6-decanolide
  • 6-hydroxydecanoic acid epsilon-lactone
  • 2-oxepanone, 7-butyl-
  • 7-butyloxepan-2-one
  • 2-Oxepanone, 7-butyl-
  • Decanoic acid, 6-hydroxy-, ε-lactone
  • 7-Butyl-2-oxepanone
  • ε-Decalactone
  • (±)-ε-Decalactone
  • 6-Decanolide

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

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PubMeb Start search
NCBI Start search

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):HMDB33203
FooDB:FDB011215
Export Tariff Code:2932.29.6000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 170.25186157227
Specific gravity @ 25 °C
Pounds per Gallon
Refractive Index 1.458 to 1.463 @ 20 °C
Boiling Point 262 to 263°C @ 760 mm Hg
Vapor Pressure 0.008 mmHg @ 25 °C
Flash Point TCC Value 106.11 °C TCC
logP (o/w) 2.487 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
water, 393.8 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Coumarinic
sweet, creamy, tonka, coconut, milky, celery, fatty, buttery, dry, lactonic, cheesy
General comment Sweet creamy tonka
Mosciano, Gerard, (2009) At 1.00 %. sweet, coconut creamy, milky with a phthalate celery like note and a fatty melted butter and dry lactonic cheese like nuance
Flavor Type: Waxy
waxy, coconut, dairy, creamy, buttery, brown, toffee
Mosciano, Gerard, (2009) At 10.00 ppm. Waxy, sweetened coconut, dairy creamy with a melted butter, slightly brown butter and toffee like nuance

Potential Uses

Applications
Odor purposes Butter, Coconut, Cream, Peach, Vanilla
Flavoring purposes Cheese, Dairy
Cosmetic purposes Perfuming agents

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.
Oral/Parenteral Toxicity:
gavage-mouse LD50 [sex: M,F] 5252 mg/kg
(Moran et al., 1980)

oral-mouse LD50 5252 mg/kg
Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

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
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (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: 12
Click here to view publication 12
average usual ppmaverage maximum ppm
baked goods: -10.00000
beverages(nonalcoholic): -5.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: -5.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: -5.00000
granulated sugar: --
gravies: -5.00000
hard candy: --
imitation dairy: -5.00000
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: -5.00000
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):5579-78-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62583
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
7-butyloxepan-2-one
Chemidplus:0005579782
RTECS:RQ6670000 for cas# 5579-78-2