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)
formula :C16 H30 O2
BioActivity Analysis :91639
NMR Predictor :Predict
 
 
export tariff code :2932.29
fda reg :unspecified
Suppliers :
IFF :Hexadecanolide
Odor:  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 description¹ :
at 10.00 % in dipropylene glycol.  		sweet musk balsam amber animal
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 :
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 (EFFA, 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 (EFFA, 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 :
reference : Luebke, William tgsc, (1986)¹
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 :
 allyl amyl glycolateFR
 amber carbinolFR
 ambrette seed oilFL/FR
 ambroxanFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFR
 angelica root oilFL/FR
 animal carbolactoneFR
para-anisaldehydeFL/FR
para-anisyl alcoholFL/FR
 armoise oilFR
 beeswax absoluteFL/FR
 benzoin resinoidFL/FR
 benzyl benzoateFL/FR
 benzyl cinnamateFL/FR
 benzyl isoeugenolFL/FR
 benzyl salicylateFL/FR
 bois de rose oilFL/FR
laevo-bornyl acetateFL/FR
isobutyl cinnamateFL/FR
isobutyl quinolineFR
 carrot seed oilFL/FR
 cedarwood oils 
 cinnamyl alcoholFL/FR
 cistus oilFL/FR
 citronellolFL/FR
 clary sage oilFL/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
 dodecanalFL/FR
 dodecanolFL/FR
 ethyl cinnamateFL/FR
 ethyl laurateFL/FR
 ethyl vanillinFL/FR
 fir balsam absoluteFL/FR
 floral pyranolFR
 frankincense oilFL/FR
 geraniolFL/FR
(E)-geranyl acetoneFL/FR
 guaiacwood oilFL/FR
 hay absoluteFR
 heliotropinFL/FR
 heliotropyl diethyl acetalFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 ionones 
 leerallFR
 lilyallFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 longifoleneFL/FR
 methyl cedryl ketoneFL/FR
 methyl cinnamateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl ionones 
 muguet carboxaldehydeFR
 musks 
beta-naphthyl ethyl etherFL/FR
 nerolFL/FR
 nerolidolFL/FR
 nutmeg oilFL/FR
 oakmoss absoluteFL/FR
 ocean propanalFL/FR
 orris pyridineFL/FR
 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-undecalactoneFL/FR
 vanilla absoluteFL/FR
 vanillyl acetateFL/FR
 verymossFR
 watermelon ketoneFR
 woody acetateFR
 woody propanolFR
potential uses :
 aldehydic
 amber
 ambergris
 ambrette
 angelica
 animal
 apple crabapple
 ash mountain ash blossom
 azalea
 balsam
 bark
 bayberry
 blueberry
 bouquet
 briar sweet briar eglantine
 broom genet genista
 burberry
 butter
 cabreuva
 calamus
 candy
 caramel
 carnation dianthus oeillet
 cassia blossom
 cedar
 cedar forest
 champaca champak
 chestnut blossom
 chocolate cacao
 chypre
 citrus
 civet
 cloth clean cloths
 clover trefle le'trefle incarnat
 coconut
 cologne
 coronilla
 crabapple blossom
 cream
 cyclamen
 daffodil narcissus
 dahlia
 daisy
 daphne
 diffusion
 dogwood
 fagonia
 fern fougere
 fig
 fir balsam
 fixer
 flouve blossom
 foliage
 forest
 fruit punch
 fruit tropical fruit
 ginger white ginger
 grass sweet grass
 habuba
 hay new mown hay foin coupe
 herbal
 hinoki
 hugonia
 incense
 kewda
 lavender
 leaf autumn leaf
 leather
 lotus
 marshmallow
 meadow
 mimosa wattle
 molasses
 moss
 muguet lily of the valley
 musk
 narcissus narcisse
 nut
 oakwood
 ocean sea
 oriental
 outdoors fresh outdoors
 passion fruit
 pear prickly pear
 petunia
 phlox
 pinon cone
 pomegranate
 powder
 rain
 raspberry
 rhubarb
 rose d'orient
 rose moss rose
 rose white rose
 sandalwood
 stephanotis
 stock evening scented stock
 straw
 strawberry
 timber
 tobacco tabac tabaco
 toffee
 tulip
 valerian
 vanilla
 wistaria wisteria glycine
 woodruff asperula
 woody
natural occurrence in :
 milk powder skim milk powder - 0.0145 mg/kg  



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