juniper lactone
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IUPAC name :1-oxacycloheptadecan-2-one
InChI :InChI=1/C16H30O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1-15H2
InChIKey :LOKPJYNMYCVCRM-UHFFFAOYAX
SMILES :C1CCCCCCCC(=O)OCCCCCCC1
cas number :109-29-5
(EINECS) number :203-662-0
beilstein number :0148631
fl. number :10.047
molar refractivity :75.52 ± 0.3 cm3
parachor :666.9 ± 6.0 cm3
index of refraction :1.435 ± 0.02
surface tension :28.3 ± 3.0 dyne/cm
density :0.879 ± 0.06 g/cm3
polarizability :29.93 ± 0.5 10-24cm3
XlogP : 6.60
molecular weight : 254.4082000 (IUPAC) (PT) (112)
formula :C16 H30 O2
BioActivity Analysis :91639
NMR Predictor :Predict
 
 
export tariff code :2932.29
fda reg :unspecified

Suppliers :
IFF :Hexadecanolide
Odor:  Musk, Sweet, Animal
Sweet musk note of great diffusion and tenacity with balsamic, animal effects.
Penta :hexadecanolide

organoleptics :
odor type :musk
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  
sweet musk balsam amber animal
Luebke, William tgsc, (1986)
odor sample from :Charabot & Company Inc.
substantivity :400  Hour(s)

properties :
appearence :colorless solid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
refractive index :1.46800 to 1.47300 @ 20.00 °C.
melting point : 30.00 to 34.00 °C. @ 760.00 mm Hg
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 6.01

safety :
most important hazard(s) :Xi - Irritant
  R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg

Inhalation Toxicity(LC50) : 
  Not determined
 

safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.024 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :3900 (μg/person/day)
Threshold of concern :1800 (μg/person/day)
Structure Class :I
 
recommendation for juniper lactone fragrance usage levels up to :
  3.0000 % in the fragrance concentrate.
 
 
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
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...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
1-oxacycloheptadecan-2-one
(EINECS) number :203-662-0
chemidplus :000109295
EPA Substance Registry Services :109-29-5
dtp/nci :33546

references :
 
1-oxacycloheptadecan-2-one
fl. number :10.047
NIST Chemistry WebBook :3488060964
pubchem :151098

Cosmetics :
Cosmetic uses : masking agents
perfuming agents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
1-oxacycloheptadecan-2-one
oxacycloheptadecan-2-one
 cyclohexadecanolide
 cyclohexyl decanolide
 dihydroambrettolide
1,16-hexadecalactone
 hexadecano-1,16-lactone
1,16-hexadecanolide
16-hydroxyhexadecanoic acid lactone
16-hydroxyhexadecanoic acid omicron-lactone
 juniper lactone
 juniperic acid lactone

soluble in :
 alcohol

insoluble in :
 water

potential blenders :    note
 allyl amyl glycolateFR
 amber carbinolFR
 ambrette seed oilFL/FR
 ambroxanFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFL/FR
 angelica root oilFL/FR
 animal carbolactoneFR
para-anisaldehydeFL/FR
para-anisyl alcoholFL/FR
 armoise oilFR
 beeswax absoluteFL/FR
 benzoin resinoid siamFL/FR
 benzyl benzoateFL/FR
 benzyl cinnamateFL/FR
 benzyl isoeugenolFL/FR
 benzyl salicylateFL/FR
 bois de rose oil brazilFL/FR
laevo-bornyl acetateFL/FR
isobutyl cinnamateFL/FR
isobutyl quinolineFR
 carrot seed oilFL/FR
 cinnamyl alcoholFL/FR
 cistus oilFL/FR
 citronellolFL/FR
 clary sage oil franceFL/FR
 clover nitrileFR
 coriander seed oilFL/FR
 costus valerolactoneFR
 coumarinFR
para-cresyl caprylateFL/FR
 cuminaldehydeFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
 decanolFL/FR
 decyl acetateFL/FR
 dimethyl benzyl carbinolFL/FR
 dodecanal (aldehyde C-12 lauric)FL/FR
 dodecanolFL/FR
 ethyl cinnamateFL/FR
 ethyl laurateFL/FR
 ethyl vanillinFL/FR
 fir balsam absoluteFR
 floral pyranolFR
 frankincense oilFL/FR
 geraniolFL/FR
(E)-geranyl acetoneFL/FR
 guaiacwood oilFL/FR
 hay absoluteFR
 heliotropinFL/FR
 heliotropyl diethyl acetalFR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 leerallFR
 lilyallFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 longifoleneFL/FR
 methyl (E)-cinnamateFL/FR
 methyl cedryl ketoneFL/FR
 methyl dihydrojasmonateFL/FR
 muguet carboxaldehydeFR
beta-naphthyl ethyl etherFL/FR
 nerolFL/FR
 nerolidolFL/FR
 nutmeg oilFL/FR
 oakmoss absoluteFL/FR
 ocean propanalFL/FR
 orris pyridine 25% ipmFR
 patchouli ethanoneFR
 patchouli oilFL/FR
 phenethyl alcoholFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl salicylateFL/FR
3-phenyl propionaldehydeFL/FR
3-phenyl propyl alcoholFL/FR
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
 rhodinolFL/FR
 rose butanoateFL/FR
 santallFR
 strawberry furanoneFL/FR
alpha-terpineolFL/FR
 tobacco dodecaneFR
 tonka bean absoluteFR
gamma-undecalactone (aldehyde C-14)FL/FR
 vanilla absolute 100%FL/FR
 vanillyl acetateFL/FR
 verymossFR
 watermelon ketoneFR
 woody acetateFR
 woody propanolFR

potential uses :
 aldehydicFR
 amberFR
 ambergrisFR
 ambretteFL/FR
 angelicaFL/FR
 animalFR
 apple crabapple 
 ash mountain ash blossom 
 azaleaFR
 balsamFR
 bark 
 bayberryFR
 blueberryFR
 bouquetFR
 burberry 
 butterFR
 cabreuvaFR
 calamusFR
 candy 
 caramelFL
 carnation dianthus oeilletFR
 cassia blossom 
 cedarFR
 cedar forestFR
 champaca champakFR
 chestnut blossom 
 chocolate cacao 
 chypreFR
 citrusFR
 civetFR
 cloth clean cloths 
 clover trefle le'trefle incarnatFR
 coconutFR
 cologneFR
 coronillaFR
 crabapple blossomFR
 creamFR
 cyclamenFR
 daffodil narcissusFR
 dahlia 
 daisyFR
 daphneFR
 diffusion 
 dogwoodFR
 eglantine sweet briarFR
 fagoniaFR
 fern fougereFR
 figFR
 fir balsamFR
 fixer 
 flouve blossom 
 foliage 
 forestFR
 fruit punch 
 fruit tropical fruit 
 genet genista broomFR
 ginger whiteFR
 grass sweetFR
 habubaFR
 hay new mown hay foin coupeFR
 herbalFR
 hinokiFR
 hugonia 
 incenseFR
 kewda 
 lavenderFR
 autumnFR
 leatherFR
 lotusFR
 marshmallowFL
 meadow countryFR
 mimosaFR
 molassesFL
 muguet lily of the valleyFR
 muskFR
 narcissus narcisseFR
 nutFL
 oakmoss mousse de chene mossFR
 oakwood 
 ocean sea 
 orientalFR
 outdoors freshFR
 passion fruitFR
 pear prickly pear 
 petuniaFR
 phloxFR
 pinon coneFR
 pomegranateFR
 powderFR
 rainFR
 raspberryFR
 rhubarbFR
 rose d'orientFR
 rose mossFR
 rose whiteFR
 sandalwoodFR
 stephanotisFR
 stock evening scentedFR
 straw 
 strawberryFR
 timber 
 tobaccoFR
 toffeeFR
 tulipFR
 valerianFL/FR
 vanillaFR
 wisteria wistaria glycineFR
 woodruff asperulaFR
 woodyFR

natural occurrence in :    note
 milk powder skim milk powder - 0.0145 mg/kg  



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