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epsilon-dodecalactone
7-hexyloxepan-2-one

Supplier Sponsors

Name:7-hexyloxepan-2-one
CAS Number: 16429-21-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:240-483-7
FDA UNII:Y9M87BIY21
Nikkaji Web:J78.704C
Beilstein Number:4389436
CoE Number:10938
XlogP3:3.40 (est)
Molecular Weight:198.30574000
Formula:C12 H22 O2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
JECFA evaluated epsilon-dodecalactone (CASrn as in Register). (R)- or (S)- enantiomer not specified by Register CASrn.
Category:flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Flavoring:242 epsilon-dodecalactone
FLAVIS Number:10.028 (Old)
DG SANTE Food Flavourings:10.028 dodecano-1,6-lactone
FEMA Number:3610 epsilon-dodecalactone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: EPSILON-DODECALACTONE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.95000 to 0.95800 @ 25.00 °C.
Pounds per Gallon - (est).: 7.905 to 7.972
Refractive Index:1.45900 to 1.46300 @ 20.00 °C.
Boiling Point: 150.00 °C. @ 2.00 mm Hg
Vapor Pressure:0.002000 mm/Hg @ 25.00 °C. (est)
Flash Point: 248.00 °F. TCC ( 120.00 °C. )
logP (o/w): 3.505 (est)
Soluble in:
 alcohol
 water, slightly
 water, 41.54 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium
sweet peach fruity celery
Odor Description:at 100.00 %. sweet peach fruity celery
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
7-Hexyloxepan-2-one 97%
Lluch Essence
epsilon-DODECALACTONE
Odor: FRUITY, GREEN
Soda Aromatic
Epsilon Dodecalactone C-12
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
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] 7898 mg/kg
(Moran et al., 1980)

oral-mouse LD50 7898 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
Recommendation for epsilon-dodecalactone usage levels up to:
  3.0000 % in the fragrance concentrate.
 
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
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): -2.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -10.00000
condiments / relishes: --
confectionery froastings: -2.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: -2.00000
granulated sugar: --
gravies: -5.00000
hard candy: -5.00000
imitation dairy: -2.00000
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: -5.00000
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: -2.00000
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
EPA Substance Registry Services (TSCA):16429-21-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61835
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
7-hexyloxepan-2-one
Chemidplus:0016429213
 
References:
 7-hexyloxepan-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:16429-21-3
Pubchem (cid):61835
Pubchem (sid):135017062
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB38895
FooDB:FDB018358
Export Tariff Code:2932.29.6000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
acetyl nonyryl
FL/FR
iso
valeraldehyde
FL/FR
buttery
acetoin
FL/FR
acetyl butyryl
FL/FR
acetyl isobutyryl
FL/FR
acetyl propionyl
FL/FR
butyl butyryl lactate
FL/FR
caramellic
2-oxo
butyric acid
FL/FR
strawberry furanone acetate
FL/FR
cheesy
butyric acid
FL/FR
coconut
coconut decanone methyl
FR
coconut fragrance
FR
coconut specialty
FR
delta-
decalactone
FL/FR
delta-2-
dodecenolactone
FL/FR
delta-
nonalactone
FL/FR
gamma-
octalactone
FL/FR
delta-
undecalactone
FL/FR
creamy
butyl lactate
FL/FR
gamma-
butyrolactone
FL/FR
(Z)-
coconut decanone ethyl
FR
creamy lactone
FL/FR
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
para-
vanillic acid
FL/FR
para-
vanillyl alcohol
FL/FR
earthy
1-
nonen-3-ol
FL/FR
fatty
(Z)-
dairy lactone
FL/FR
ethyl undecylenate
FL/FR
4-
methyl octanoic acid
FL/FR
fermented
butyl laevo-lactate
FL/FR
floral
citronellyl formate
FL/FR
geranyl isobutyrate
FL/FR
jasmin lactone (IFF)
FL/FR
jasmin pyranone
FL/FR
methyl dihydrojasmonate
FL/FR
phenethyl isobutyrate
FL/FR
phenethyl isovalerate
FL/FR
fruity
acetoin acetate
FL/FR
allyl 2-ethyl butyrate
FL/FR
allyl cinnamate
FL/FR
para-
anisyl propionate
FL/FR
apricot peach fragrance
FR
butyl 2-decenoate
FL/FR
iso
butyl hexanoate
FL/FR
butyl isovalerate
FL/FR
cyclohexyl cinnamate
FL/FR
(S)-delta-
decalactone
FL/FR
gamma-
decalactone
FL/FR
decen-1-yl cyclopentanone
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
gamma-
dodecalactone
FL/FR
ethyl cyclohexane propionate
FL/FR
farnesyl acetone
FL/FR
fleuramone (IFF)
FR
fruity butanate
FR
fruity cyclopentanone
FR
mango peach fragrance
FR
methyl (Z)-5-octenoate
FL/FR
octen-1-yl cyclopentanone
FL/FR
peach cyclopentanone
FR
peach fragrance
FR
peach nitrile
FR
peach pivalate
FR
peach specialty
FR
plum crotonate
FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
green
iso
butyl benzyl carbinol
FL/FR
(Z)-4-
hepten-1-ol
FL/FR
(Z)-4-
heptenal
FL/FR
(Z)-4-
heptenal diethyl acetal
FL/FR
herbal
benzyl octanoate
FL/FR
linalyl isovalerate
FL/FR
mushroom
3-
octen-2-ol
FL/FR
spicy
(E)-
coconut decanone ethyl
FR
sulfurous
buchu mercaptan
FL/FR
grapefruit menthane
FL/FR
sweet
vanilla oleoresin bali
FL/FR
tonka
6-
amyl-alpha-pyrone
FL/FR
mint lactone
FL/FR
octahydrocoumarin
FL/FR
tropical
delta-
dodecalactone
FL/FR
glyceryl 5-hydroxydecanoate
FL/FR
glyceryl 5-hydroxydodecanoate
FL/FR
vanilla
ortho-
dimethyl hydroquinone
FL/FR
ethyl vanillin
FL/FR
ethyl vanillin isobutyrate
FL/FR
ethyl vanillin propylene glycol acetal
FL/FR
vanillin
FL/FR
vanillyl acetate
FL/FR
vanillyl isobutyrate
FL/FR
vanillylidene acetone
FL/FR
vegetable
methional
FL/FR
waxy
allyl nonanoate
FL/FR
iso
amyl laurate
FL/FR
ethyl palmitate
FL/FR
methyl laurate
FL/FR
2-
nonanol
FL/FR
octyl 2-methyl butyrate
FL/FR
octyl isobutyrate
FL/FR
delta-
tetradecalactone
FL/FR
undecanoic acid
FL/FR
woody
laitone
FR
For Flavor
No flavor group found for these
allyl cinnamate
FL/FR
allyl cyclohexyl valerate
FL
allyl methyl trisulfide
FL
para-
anisyl propionate
FL/FR
benzyl octanoate
FL/FR
cyclohexyl cinnamate
FL/FR
(S)-delta-
decalactone
FL/FR
6-
decenoic acid
FL
ortho-
dimethyl hydroquinone
FL/FR
delta-2-
dodecenolactone
FL/FR
ethyl cyclohexane propionate
FL/FR
farnesyl acetone
FL/FR
jasmin lactone (IFF)
FL/FR
massoia bark oil
FL
(R)-
tonka furanone
FL
aldehydic
aldehydic
acetyl nonyryl
FL/FR
amber
iso
butyl benzyl carbinol
FL/FR
balsamic
vanillylidene acetone
FL/FR
brown
2-oxo
butyric acid
FL/FR
buttery
butyl laevo-lactate
FL/FR
diacetyl
FL
cabbage
methyl 2-thiofuroate
FL
caramellic
strawberry furanone acetate
FL/FR
coconut
delta-
decalactone
FL/FR
(R)-
massoia lactone
FL
6-
methyl coumarin
FL
octahydrocoumarin
FL/FR
creamy
acetoin
FL/FR
acetyl butyryl
FL/FR
acetyl isobutyryl
FL/FR
6-
amyl-alpha-pyrone
FL/FR
butyl butyryl lactate
FL/FR
creamy lactone
FL/FR
delta-
dodecalactone
FL/FR
glyceryl 5-hydroxydecanoate
FL/FR
glyceryl 5-hydroxydodecanoate
FL/FR
jasmin pyranone
FL/FR
massoia lactone
FL
mint lactone
FL/FR
delta-
nonalactone
FL/FR
octyl isobutyrate
FL/FR
delta-
undecalactone
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
para-
vanillic acid
FL/FR
para-
vanillyl alcohol
FL/FR
dairy
butyl lactate
FL/FR
methyl (Z)-5-octenoate
FL/FR
earthy
1-
nonen-3-ol
FL/FR
ethereal
allyl 2-ethyl butyrate
FL/FR
fatty
iso
amyl laurate
FL/FR
(Z)-
dairy lactone
FL/FR
ethyl undecylenate
FL/FR
4-
methyl octanoic acid
FL/FR
2,4-
octadien-1-ol
FL
floral
geranyl isobutyrate
FL/FR
methyl dihydrojasmonate
FL/FR
fruity
acetoin acetate
FL/FR
acetyl isovaleryl
FL
butyl 2-decenoate
FL/FR
iso
butyl hexanoate
FL/FR
butyl isovalerate
FL/FR
citronellyl formate
FL/FR
gamma-
decalactone
FL/FR
decen-1-yl cyclopentanone
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
gamma-
dodecalactone
FL/FR
2-
furyl pentyl ketone
FL
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
linalyl isovalerate
FL/FR
octen-1-yl cyclopentanone
FL/FR
phenethyl isovalerate
FL/FR
iso
valeraldehyde
FL/FR
green
heptanal 2,3-butane diol acetal
FL
(Z)-4-
hepten-1-ol
FL/FR
(Z)-4-
heptenal
FL/FR
(Z)-4-
heptenal diethyl acetal
FL/FR
honey
phenethyl isobutyrate
FL/FR
lactonic
gamma-
octalactone
FL/FR
milky
gamma-
butyrolactone
FL/FR
mushroom
3-
octen-2-ol
FL/FR
sour
butyric acid
FL/FR
spicy
benzylidene acetone
FL
sulfurous
buchu mercaptan
FL/FR
grapefruit menthane
FL/FR
sweet
vanilla oleoresin bali
FL/FR
toasted
acetyl propionyl
FL/FR
tomato
methional
FL/FR
vanilla
ethyl vanillin
FL/FR
ethyl vanillin isobutyrate
FL/FR
ethyl vanillin propylene glycol acetal
FL/FR
vanillin
FL/FR
vanillyl acetate
FL/FR
vanillyl isobutyrate
FL/FR
waxy
allyl nonanoate
FL/FR
ethyl palmitate
FL/FR
furfuryl octanoate
FL
methyl laurate
FL/FR
2-
nonanol
FL/FR
octyl 2-furoate
FL
octyl 2-methyl butyrate
FL/FR
delta-
tetradecalactone
FL/FR
undecanoic acid
FL/FR
 
Potential Uses:
FRfruit
 fruit tropical fruit
FRpeach
FLtropical
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 aldehyde C-123
.epsilon.-dodecalactone
 dodecano-1,6-lactone
 dodecanoic acid, 6-hydroxy-, e-lactone
7-hexyl oxepan-2-one
7-hexyl-2-oxepanone
6-hexylhexanolide
7-hexyloxepan-2-one
6-hydroxydodecanoic acid epsilon-lactone
epsilon-hydroxydodecanoic acid lactone
2-oxepanone, 7-hexyl-
 
 
Notes:
Food flavouring ingredient for candies, dairy products and soft drinks
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