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delta-hexalactone

Chemical Structure

General Material Information

Preferred name delta-hexalactone
Trivial Name (±)-δ-Hexalactone
Short Description hexano-1,5-lactone
Formula C6 H10 O2
CAS Number 823-22-3
FEMA Number 3167
Flavis Number 10.01
ECHA Number 212-511-8
FDA UNII C8456O4551
Nikkaji Number J110.474H
MDL MFCD00083574
COE Number 641
xLogP3-AA 1.00 (est)
NMR Predictor External link
JECFA Food Flavoring 224 delta-hexalactone
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 823-22-3 ; DELTA-HEXALACTONE
Synonyms
  • d- caprolactone
  • d- hexalactone
  • hexalactone delta
  • delta- hexalactone FCC
  • hexano-1,5-lactone
  • hexanoic acid, 5-hydroxy-, d-lactone
  • d- hexanolactone
  • 5-hexanolide
  • 5-methyl-5-hydroxypentanoic acid lactone
  • 5-methyl-d-valerolactone
  • d- methyl-d-valerolactone
  • 5-methyl-delta-valerolactone
  • 6-methyloxan-2-one
  • 6-methyltetrahydro-2H-pyran-2-one
  • 6-methylvalerolactone
  • 2H- pyran-2-one, tetrahydro-6-methyl-
  • tetrahydro-6-methyl-2H-pyran-2-one
  • 6-methyloxan-2-one
  • 2H-Pyran-2-one, tetrahydro-6-methyl-
  • Hexanoic acid, 5-hydroxy-, lactone
  • Hexanoic acid, 5-hydroxy-, δ-lactone
  • 5-Hydroxyhexanoic acid lactone
  • δ-Hexalactone
  • δ-Methyl-δ-valerolactone
  • δ-Caprolactone
  • 6-Methylvalerolactone
  • δ-Hexanolide
  • (±)-5-Hexanolide
  • (RS)-δ-Hexalactone
  • (±)-δ-Hexalactone
  • NSC 134774
  • NSC 32863
  • 6-Methyl-δ-valerolactone
  • 6-Methyltetrahydropyran-2-one
  • 5-Hexanolide
  • 6-Methyl-2H-tetrahydropyran-2-one
  • δ-Hexanolactone

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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB00453
FooDB:FDB008077
Export Tariff Code:2932.20.5050
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 114.14409637451
Specific gravity @ 20 °C
Pounds per Gallon 8.722 to 8.772
Refractive Index 1.449 to 1.453 @ 20 °C
Boiling Point 110 to 112°C @ 15 mm Hg
Boiling Point 59 to 60°C @ 0.04 mm Hg
Vapor Pressure 0.145 mmHg @ 25 °C
Flash Point TCC Value 107.22 °C TCC
logP (o/w) 0.431 est
Solubility
alcohol Yes
ether Yes
water, 3.219e+004 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Herbal
creamy, fruity, coconut
General comment At 100.00 %. creamy fruity coconut
Flavor Type: Creamy
creamy, spicy, coconut
General comment Creamy spicy coconut
HEXALACTONE DELTA has the classic lactonic profile with a nice spicy nuance. It is widely used in butter, cream milk, nut and fruit flavors. Nice caramelic coumarinic spicy and coconut 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.
Human Experience:
4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
gavage-rat LD50 13020 mg/kg
(Smyth et al., 1962)

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-hexalactone usage levels up to:
4.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 320.00 (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: -10.00000
beverages(nonalcoholic): -10.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: -10.00000
fish products: --
frozen dairy: -10.00000
fruit ices: -10.00000
gelatins / puddings: -10.00000
granulated sugar: --
gravies: --
hard candy: -10.00000
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 ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :13204
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
6-methyloxan-2-one
Chemidplus:0000823223