isoambrettolide
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Notes :
Maybe used as a prefixer for alcohol. To tone down the alcohol smell.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :(9Z)-17-oxacycloheptadec-9-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/h1,3H,2,4-15H2/b3-1-
InChIKey :QILMAYXCYBTEDM-IWQZZHSRBZ
SMILES :C1CCC\C=C/CCCCCCOC(=O)CCC1
cas number :28645-51-4
(EINECS) number :249-120-7
fema number :4145
fl. number :10.063
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 :unspecified

Suppliers :
Charabot :ambrettolide
Givaudan :ambrettolide
Odor:  Musky, Powerful, Warm, Ambrette seed, Fruity
IFF :Ambrettolide
Odor:  Intensely powerful substantive musk odor with depth and richness.
John D. Walsh :Ambrettolide
Mane :ambrettolide
Moellhausen :ambrettolide
98% min. artifical kosher
Odor:  strongly musk, vegetable, fruity.
Symrise :Ambrettolide
Vigon :Ambrettolide

organoleptics :
odor type :musk
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :¹
at 10.00 % in dipropylene glycol.  
sweet musk ambrette fruity waxy
odor sample from :Charabot & Company Inc.
substantivity :248  Hour(s)

properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.94800 to 0.95600 @ 25.00 °C.
pounds per gallon - calc. : 7.888 to 7.955
specific gravity :0.94900 to 0.95700 @ 20.00 °C.
pounds per gallon - calc. : 7.906 to 7.972
refractive index :1.47700 to 1.48200 @ 20.00 °C.
boiling point : 185.00 to 190.00 °C. @ 16.00 mm Hg
boiling point : 307.00 to 308.00 °C. @ 760.00 mm Hg
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 6.51
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.

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 36 - Wear suitable protective clothing.
Human experience : 1 % solution: no irritation or sensitization.
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 :
 
recommendation for isoambrettolide usage levels up to :
  4.0000 % in the fragrance concentrate.
 
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 on the "LIBRARY" link.
publication number : 22
 average usual ppmaverage maximum ppm
baked goods : 0.100001.00000
beverages(nonalcoholic) : 0.050000.50000
beverages(alcoholic) : 0.200002.00000
breakfast cereal : 0.100001.00000
cheese : --
chewing gum : 1.000005.00000
condiments / relishes : --
confectionery froastings : 0.200002.00000
egg products : --
fats / oils : --
fish products : --
frozen dairy : 0.100001.00000
fruit ices : 0.100002.00000
gelatins / puddings : 0.100001.00000
granulated sugar : --
gravies : --
hard candy : 0.200002.00000
imitation dairy : --
instant coffee / tea : --
jams / jellies : 0.100001.00000
meat products : --
milk products : 0.100001.00000
nut products : --
other grains : --
poultry : --
processed fruits : 0.200002.00000
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : --
soft candy : 0.200002.00000
soups : --
sugar substitutes : --
sweet sauces : 0.100001.00000

safety references :
msds :msds
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 (9Z)-17-oxacycloheptadec-9-en-1-one
(EINECS) number :249-120-7
chemidplus :028645514
EPA Substance Registry Services :28645-51-4
dtp/nci :31697

references :
 (9Z)-17-oxacycloheptadec-9-en-1-one
fl. number :10.063
pubchem :671490

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1992)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
 C of A
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
delta-9-isoambrettolic acid lactone
 ambrettolide (so called)
oxacyclo heptadec-10-en-2-one
(9Z)-17-oxacycloheptadec-9-en-1-one
oxacycloheptadec-10-en-2-one
 hexadec-9-en-1,16 lactone
16-hydroxy-9-hexadecenoic acid omega-lactone
 moschus lactone

soluble in :
 alcohol

insoluble in :
 water

stability :
 acid cleaner
 antiperspirant
 candle, moderate
 deo stick
 detergent perborate
 fabric softener
 hair spray
 hard surface cleaner
 liquid detergent
 non-discoloring in most media
 powder
 shampoo
 soap

(odor and/or flavor) blends with :
 acetaldehyde ethyl phenethyl acetal
 allyl amyl glycolate
 amber carbinol
 ambrette seed oil
 ambrettolide
 ambroxan
isoamyl salicylate
 amyris wood oil
 angelica root oil
 angelica seed oil CO2 extract
 animal carbolactone
para-anisaldehyde
para-anisyl alcohol
 armoise oil
 beeswax absolute
 benzoin resinoid
 benzyl benzoate
 benzyl cinnamate
 benzyl isoeugenol
 benzyl salicylate
 bois de rose oil
laevo-bornyl acetate
isobutyl cinnamate
isobutyl quinoline
isobutyl quinoline
 carrot seed oil
 cedarwood oils
 cinnamyl alcohol
 cistus oil
 citronellol
 clary sage oil
 clover nitrile
 coriander seed oil
 costus valerolactone
 coumarin
 creamy lactone
para-cresyl caprylate
 cuminaldehyde
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
 decanol
 decyl acetate
 dewy propionate
 dimethyl benzyl carbinol
 dodecanal
 dodecanol
 ethyl cinnamate
 ethyl laurate
 ethyl vanillin
 ethylene brassylate
 fir balsam absolute
 floral pyranol
 frankincense oil
 geraniol
(E)-geranyl acetone
 guaiacwood oil
 hay absolute
 heliotropin
 heliotropyl diethyl acetal
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl salicylate
alpha-hexyl cinnamaldehyde
 hyacinth ether
 hydroxycitronellal
 ionones
 leerall
 lilyall
 linalool
laevo-linalool
 linalool oxide
 longifolene
 methyl cedryl ketone
 methyl cinnamate
 methyl dihydrojasmonate
 methyl ionones
 muguet carboxaldehyde
 musk ambrette
 musk propanoate
 musks
beta-naphthyl ethyl ether
 nerol
 nerolidol
 nutmeg oil
 oakmoss absolute
 ocean propanal
2,4-octadien-1-ol
 orris pyridine
 patchouli ethanone
 patchouli oil
 phenethyl alcohol
 phenethyl phenyl acetate
 phenethyl salicylate
3-phenyl propionaldehyde
3-phenyl propyl alcohol
 raspberry ketone
 raspberry ketone acetate
 raspberry ketone methyl ether
 rhodinol
 rose butanoate
 rose petal acetate
 santall
 strawberry furanone
alpha-terpineol
delta-tetradecalactone
 tobacco dodecane
 tonka bean absolute
gamma-undecalactone
 undecanoic acid
 vanilla absolute
 vanillyl acetate
 versalide
 verymoss
 watermelon ketone
 woody acetate
 woody amylene
 woody propanol

(odor and/or flavor) used in :
 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
 dogwood
 fagonia
 fern fougere
 fidji
 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
 oscar de larenta
 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 :
data pageambrette seed concrete @ 5.10%



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