ambrettolide
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Notes :
Prefixer for alcohol.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :17-oxacycloheptadec-6-en-1-one
InChI :InChI=1/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h4,6H,1-3,5,7-15H2
InChIKey :HMWPDRYGIBLSHB-UHFFFAOYAP
SMILES :C1CCCCC=CCCCCC(=O)OCCCC1
cas number :7779-50-2
(EINECS) number :231-929-1
fema number :2555
coe number :180
jecfa number :240
fl. number :10.003
molar refractivity :75.12 ± 0.3 cm3
parachor :654.5 ± 6.0 cm3
index of refraction :1.444 ± 0.02
surface tension :28.8 ± 3.0 dyne/cm
density :0.893 ± 0.06 g/cm3
polarizability :29.78 ± 0.5 10-24cm3
XlogP : 6.10
XlogP3-AA : 5.50
molecular weight : 252.3923200 (IUPAC)
formula :C16 H28 O2
NMR Predictor :Predict
 
 
export tariff code :2932.29.6000
fda reg :172.515

Suppliers :
Nanjing :Oxacycloheptadec-7-en-2-one
Penta :ambrettolide
Sigma-Aldrich-SAFC :omega-6-Hexadecenlactone
Odor:  musty; animal

organoleptics :
odor type :soapy
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
sweet soapy amber fruity berry

properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.94700 to 0.95900 @ 25.00 °C.
pounds per gallon - calc. : 7.880 to 7.980
refractive index :1.47300 to 1.47900 @ 20.00 °C.
boiling point : 185.00 to 190.00 °C. @ 16.00 mm Hg
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 5.56

safety :
most important hazard(s) :Xi - Irritant
  R 36 - Irritating to eyes.
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 39 - Wear eye/face protection.
Oral Toxicity(LD50) :
  Oral-Rat    >5000.00  mg/kg
(Wohl, 1974a)

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :5.10 (μg/capita/day)
 
recommendation for ambrettolide usage levels up to :
  5.0000 % in the fragrance concentrate.

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
 
 
 
 17-oxacycloheptadec-6-en-1-one
(EINECS) number :231-929-1
chemidplus :007779502
EPA Substance Registry Services :7779-50-2

references :
 17-oxacycloheptadec-6-en-1-one
fl. number :10.003
jecfa number :240
pubchem :204204

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
delta6-isoambrettolide
17-oxacycloheptadec-6-en-1-one
oxacycloheptadec-7-en-2-one
1-oxa-7-cycloheptadecen-2-one
 cyclohexadecen-6-olide
 hexadec-6-eno-1,16-lactone
6-hexadecen-16-olide
omega-6-hexadecenlactone
6-hexadecenolide
16-hydroxy-6-hexadecenoic acid omega-lactone

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
6-acetoxydihydrotheaspirane
 acetoxymethyl isolongifolene
 acetyl cedrene
 allyl amyl glycolate
 allyl tiglate
 amber acetate
 amber butanol
 amber carane
 amber carbinol
 amber cyclohexanol
 amber decane
 amber dioxane
 amber formate
 amber furan
 amber naphthofuran
 amber oxepin
 amber pentadecane
 amber spirolene
 ambergris naphthol
 ambreine
 ambrene acetal
 ambrette seed oil
 ambrettolide
 ambrinol
alpha-ambrinol
 ambroxan
 ambroxide
 amyl benzoate
isoamyl benzoate
alpha-amyl cinnamaldehyde
 amyl cinnamate
isoamyl cinnamate
isoamyl salicylate
 amyris acetate
 amyris wood oil
 angelica root oil
 angelica seed oil
 angelica seed oil CO2 extract
 animal carbolactone
para-anisaldehyde
para-anisyl acetate
para-anisyl alcohol
 armoise oil
 beeswax absolute
 benzoin resinoid
 benzophenone
 benzyl acetate
 benzyl cinnamate
 benzyl propionate
 benzyl salicylate
3-benzyl-4-heptanone
 bergamot oil
 berry hexanoate
 blackberry thiophenone
 blood orange oil
 bois de rose oil
laevo-bornyl acetate
 buchu mercaptan
 butyl benzoate
isobutyl cinnamate
 butyl hexanoate
 butyl laurate
isobutyl phenyl acetate
isobutyl quinoline
isobutyl quinoline
isobutyl salicylate
alpha-campholenic aldehyde
 carrot seed oil
 cedar cyclododecatriene
 cedarwood oils
alpha-cedrene epoxide
 cedryl formate
 champaca absolute
 champaca flower oil
 cinnamyl alcohol
 cistus oil
 citronellol
 clary sage absolute
 clary sage oil
 clove bud oil
 clover nitrile
 coriander seed oil
 costus valerolactone
 coumarin
para-cresyl caprylate
(-)-cubenol
 currant bud absolute black
 cyclamen aldehyde
 cyclohexyl crotonate
 cyclohexyl ethyl alcohol
 cyperus root oil
 cypress absolute
alpha-damascone
beta-damascone
 davana oil
gamma-decalactone
 decanol
9-decen-1-al
9-decen-1-ol
 decyl acetate
 dewy propionate
 dihydro-beta-ionol
 dihydro-beta-ionone
 dihydrojasmone
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl propionate
2,4-dimethyl thiazole
 dodecanal
 dodecanol
 elecampane root oil
 ethyl 2-hydroxy-3-methyl valerate
 ethyl 3-oxohexanoate
 ethyl cinnamate
 ethyl laurate
 ethyl maltol
 ethyl methyl-para-tolyl glycidate
 ethyl phenyl acetate
 ethyl vanillin
 ethylene brassylate
isoeugenyl acetate
 fir balsam absolute
 floral pyranol
 formoxymethyl isolongifolene
 frankincense oil
 frankincense resin
 gardenia oxide
 genet absolute
 geraniol
 geranyl acetate
 geranyl benzoate
 geranyl formate
 grapefruit pentanol
 green acetate
 guaiacwood oil
 guaiacyl phenyl acetate
(-)-guaiol
 guaiyl acetate
 gurjun balsam oil
 hay absolute
 heliotropin
 heliotropyl acetone
 heliotropyl diethyl acetal
 heliotropyl isobutyrate
 heptyl butyrate
(Z)-3-hexen-1-yl 2-methyl butyrate
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl propionate
(Z)-3-hexen-1-yl salicylate
alpha-hexyl cinnamaldehyde
 hyacinth ether
 hydroxycitronellal
 hydroxymethyl isolongifolene 50% in dpg
 indole
beta-ionone
beta-ionone epoxide
 ionones
 juniper lactone
delta-juniper lactone
 labdanum absolute resinoid
 labdanum leaf oil
 labdanum oil
 labdanum resinoid
 lavender absolute
 leaf acetal
 leerall
 lilyall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 linalyl cinnamate
 longifolene
isolongifolene ketone
 mastic resin
 mcp acetate
 melon nonenoate
dextro,laevo-menthyl acetate
2-methoxy-4-vinyl phenol
 methyl 2-methyl valerate
 methyl acetophenone
 methyl cedryl ketone
 methyl cinnamate
 methyl dihydrojasmonate
alpha-isomethyl ionone (90% min.)
 methyl ionones
 methyl isoeugenol
 methyl phenyl acetate
2-methyl undecanal
2-methyl undecanal dimethyl acetal
 muguet carboxaldehyde
 muguet octadienol
 musk amberol
 musk ambrette
 musk lactone
 musk methyl ketone
 musk propanoate
 musks
 myrrh oil
beta-naphthyl ethyl ether
 nerol
 nerolidol
 nonanol
(E)-5-nonen-2-one
3-nonen-2-one
 oakmoss absolute
 ocean propanal
(E)-2-octen-1-yl butyrate
(E)-2-octen-4-ol
 opoponax absolute
 opoponax resinoid
 orris pyridine
 osmanthus absolute
 patchouli ethanone
 patchouli oil
 peony alcohol
 phenethyl alcohol
 phenethyl isobutyrate
 phenethyl phenyl acetate
 phenethyl propionate
 phenethyl salicylate
3-phenyl propyl alcohol
ketoisophorone
isopropenyl acetate
 propyl cinnamate
isopropyl cinnamate
 propyl formate
 raspberry ketone
 raspberry ketone acetate
 raspberry ketone methyl ether
 rhodinol
 rose butanoate
 rose carboxylate
 rose oxides
 rose petal acetate
 santall
 satinaldehyde
 sclarene
 sclareol
 styralyl butyrate
 styrax oil
 styrax resinoid
 tea acetate
alpha-terpineol
 tetradecanal
 tetrahydrolinalool
 tetrahydromyrcenol
 thiogeraniol
 tobacco dodecane
 tolu balsam
 tonka bean absolute
 tricyclodecenyl isobutyrate
gamma-undecalactone
 undecanol
10-undecen-1-al
10-undecen-1-yl acetate
 valeraldehyde
 vanilla absolute
 vanilla carboxylate
 vanillyl acetate
 verbena absolute france
 verymoss
 vetiver oil
 violet leaf absolute
 violet methyl carbonate
 watermelon ketone
 woody acetate
 woody cyclohexanone
 woody dioxolane
 woody epoxide
 woody ether
 woody nonane
 woody propanol

(odor and/or flavor) used in :
 abronia
 acacia
 amber
 ambergris
 ambrette
 angelica
 animal
 apple crabapple
 azalea
 balsam
 bark
 bayberry
 beeswax cire d'abeille
 berry
 blackberry
 blueberry
 boronia
 bouquet
 boysenberry
 broom genet genista
 burberry
 cabreuva
 caramel
 cassia blossom
 cassie acacia farnesiana
 cedar forest
 cedarleaf
 champaca champak
 cherry blossom
 chocolate cacao
 chypre
 cistus
 citrus
 civet
 clean
 clover trefle le'trefle incarnat
 coconut
 colonia
 cyclamen
 daffodil narcissus
 daphne
 dogwood
 dusty
 fantasy blends
 fern fougere
 fig
 fir balsam
 fir needle
 fixer
 floral
 flouve
 flouve blossom
 foliage
 forest pine forest
 frangipanni plumeria
 freesia
 fruit punch
 fruit tropical fruit
 ginger white ginger
 gooseberry
 grass sweet grass
 guaiacwood
 guava
 gurjun
 hawthorn
 hay new mown hay foin coupe
 heather
 herbal
 hibiscus
 hinoki
 hollyberry
 huckleberry bilberry
 hugonia
 immortelle helichrysum everlasting
 incense
 intensifier
 kewda
 kiwi
 kiwi blossom
 kumquat
 labdanum
 lavender
 leaf autumn leaf
 leather
 lemon
 licorice red licorice
 lily
 lime
 loganberry dewberry
 lotus
 lychee soapberry
 mango
 meadow
 millefleurs
 mimosa wattle
 moss
 muguet lily of the valley
 mulberry
 musk
 narcissus narcisse
 nut
 oakwood
 ocean sea
 orange
 orange blossom fleur d'oranger
 orchid
 oriental
 pansy
 papaya
 passion blossom
 passion fruit
 patchouli
 petunia
 phlox
 pine
 plum
 pomegranate
 poppy
 powder
 privet blossom
 rain
 rain spring rain
 raspberry
 reseda mignonette
 rhubarb
 rose
 rose d'orient
 rose red rose
 rose tea rose
 rose white rose
 rose wild rose
 sandalwood
 soapy
 spearmint
 spice
 stephanotis
 strawberry
 tea
 timber
 tobacco tabac tabaco
 toffee
 tonka
 tulip
 vanilla
 verbena verveine
 wintergreen
 wistaria wisteria glycine
 woodruff asperula
 woody
 wool

natural occurrence in :
ambrette seed oil
beer
cognac
mango
rum
tea green tea
wine white wine



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