ethylene brassylate
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IUPAC name :1,4-dioxacycloheptadecane-5,17-dione
InChI :InChI=1/C15H26O4/c16-14-10-8-6-4-2-1-3-5-7-9-11-15(17)19-13-12-18-14/h1-13H2
InChIKey :XRHCAGNSDHCHFJ-UHFFFAOYAS
SMILES :C1CCCCCC(=O)OCCOC(=O)CCCCC1
cas number :105-95-3
(EINECS) number :203-347-8
beilstein number :0212344
fema number :3543
coe number :10571
jecfa number :626
fl. number :09.533
molar refractivity :72.64 ± 0.3 cm3
parachor :652.3 ± 6.0 cm3
index of refraction :1.438 ± 0.02
surface tension :30.9 ± 3.0 dyne/cm
density :0.977 ± 0.06 g/cm3
polarizability :28.79 ± 0.5 10-24cm3
XlogP : 4.40
molecular weight : 270.3645400 (IUPAC)
formula :C15 H26 O4
BioActivity Analysis :99601
NMR Predictor :Predict
 
 
export tariff code :2917.19.9090
fda reg :172.515

Suppliers :
Apple :Ethylene brassylate
Berje :Ethylene Brassylate
Elan :ethylene brassylate
Kosher
Fleurchem :ethylene brassylate
John D. Walsh :Ethylene Brassylate
Moellhausen :ethylene brassylate
97% min. artifical kosher
Penta :ethylene brassylate
Polarome :ETHYLENE BRASSYLATE
FCC
SAFC Global® :Ethylene brassylate
≥95%, Kosher
Odor:  musty; sweet
Shanghai Green Leaf :Ethylene Brassylate
Takasago :Musk T
≥98% as Ethylene brassylate
Odor:  Sweet-musky, somewhat oily
Can be used in all types of fragrance accords, from floral to animalic. It gives an outstanding tenacity to perfumes and it performs well in all types of applications.
Vigon :Ethylene Brassylate
Odor:  SWEET, MUSKY

organoleptics :
odor type :musk
odor strength :medium
odor description:
at 100.00 %.  
powdery sweet floral ambrette musk woody
Luebke, William tgsc, (1987)
odor sample from :Emery Chemicals
odor description:
Powdery, sweet, floral and ambrette-like with woody, spicy and vanilla nuances
Mosciano, Gerard P&F 23, No. 1, 33, (1998)
taste description:
at 0.50 ppm.  
Musky, sweet, powdery, floral, vanilla and perfumey
Mosciano, Gerard P&F 23, No. 1, 33, (1998)
substantivity :208  Hour(s)

properties :
appearence :colorless to pale yellow clear oily liquid
assay : 93.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :1.04000 to 1.04700 @ 25.00 °C.
pounds per gallon - calc. : 8.654 to 8.712
refractive index :1.46800 to 1.47400 @ 20.00 °C.
boiling point : 138.00 to 142.00 °C. @ 1.00 mm Hg
boiling point : 330.00 to 331.00 °C. @ 760.00 mm Hg
congealing point :7.00 °C.
acid value : 1.00  max.  KOH/g
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 2.90
shelf life : 36.00 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 36/38 - Irritating to skin and 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 : 30 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    5000.00  mg/kg

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

safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :3.00 (μg/capita/day)
 
recommendation for ethylene brassylate fragrance usage levels up to :
  10.0000 % in the fragrance concentrate.
recommendation for ethylene brassylate flavor usage levels up to :
  0.5000 ppm in the flavor.

safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
msds :msds
EPI System :view
Chemical Carcinogenesis Research Information System :Search
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
1,4-dioxacycloheptadecane-5,17-dione
(EINECS) number :203-347-8
RTECS :YQ1927500 for cas# 105-95-3
chemidplus :000105953
EPA Substance Registry Services :105-95-3
dtp/nci :46155

references :
 
1,4-dioxacycloheptadecane-5,17-dione
fl. number :09.533
jecfa number :626
NIST Chemistry WebBook :4220962603
pubchem :197238

Cosmetics :
Cosmetic uses : masking agents
tonic

other :
CosIng :cosmetic data
 C of A
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
Household Products : Search
synonyms :
 astratone
 cyclo-1,13-ethylene dioxytridecan-1,13-dione
1,4-dioxacycloheptadecane-5,17-dione
 emeressence 1150 musk
 ethylene glycol brassylate cyclic diester
 ethylene undecane dicarboxylate
 musk NN
 musk T
 tridecane dioic acid cyclic ethylene glycol diester
1,1'-undecane dicarboxylic acid ester with ethylene glycol

soluble in :
 alcohol
 dipropylene glycol
 paraffin oil

insoluble in :
 water

stability :
 alcoholic fine fragrance, good
 antiperspirant, fair
 concentrated fabric softener, good
 hypochlorite bleach, poor
 liquid detergent, good
 perborate powder detergent, fair
 soap, fair
 toiletry application, good

potential blenders :    note
 acetoxymethyl isolongifoleneFR
 acetyl cedreneFR
 acetyl tetralin 
 allspice oilFL/FR
 allyl amyl glycolateFR
 allyl cyclohexyl propionateFL/FR
 allyl isononylateFR
 amber acetateFR
 amber butanolFR
 amber caraneFR
 amber carbinolFR
 amber cyclohexanolFR
 amber decaneFR
 amber decatrieneFR
 amber dioxaneFR
 amber dodecaneFR
 amber formateFR
 amber furanFR
 amber naphthofuranFL/FR
 amber oxepinFR
 amber pentadecaneFR
 amber spiroleneFR
 ambergris naphtholFL/FR
 ambreineFR
 ambrene acetalFR
 ambrette seed absoluteFL/FR
 ambrette seed oilFL/FR
 ambrettolideFL/FR
(Z)-ambrettolideFL/FR
delta6-isoambrettolideFL/FR
 ambrinolFR
alpha-ambrinolFL/FR
 ambrophoreFR
 ambroxanFL/FR
 ambroxideFL/FR
 amyl benzoateFL/FR
isoamyl benzoateFL/FR
alpha-amyl cinnamaldehydeFL/FR
 amyl cinnamateFL/FR
isoamyl cinnamateFL/FR
isoamyl phenyl acetateFL/FR
isoamyl salicylateFL/FR
 amyris acetateFR
 amyris wood oilFL/FR
(3alpha,5alpha)-androst-16-en-3-olFR
 angelica root absoluteFL/FR
 angelica root oilFL/FR
 angelica seed oilFL/FR
 angelica seed oil CO2 extractFL/FR
 animal carbolactoneFR
para-anisaldehydeFL/FR
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
 armoise oilFR
 bay leaf oilFL/FR
 benzoin resinoidFL/FR
 benzophenoneFL/FR
 benzyl benzoateFL/FR
 benzyl cinnamateFL/FR
 benzyl isoeugenolFL/FR
 benzyl salicylateFL/FR
 blood orange oilFL/FR
 bois de rose oilFL/FR
isobornyl acetateFL/FR
laevo-bornyl acetateFL/FR
 boronia butenalFR
 butyl benzoateFL/FR
isobutyl cinnamateFL/FR
para-tert-butyl cyclohexanoneFR
isobutyl phenyl acetateFL/FR
alpha-campholenic aldehydeFL/FR
 caraway seed oilFL/FR
 carrot seed oilFL/FR
 cassia bark oilFL/FR
 cedar cyclododecatrieneFR
 cedarwood oils 
alpha-cedrene epoxideFR
 cedrol methyl etherFR
 cedryl formateFR
 cedryl methyl etherFR
 cinnamyl alcoholFL/FR
 cistus absoluteFL/FR
 cistus concreteFR
 cistus oilFL/FR
 citronellolFL/FR
 citrus carbaldehydeFR
 civet decenoneFL/FR
 clary sage oilFL/FR
 clove bud oilFL/FR
 clover nitrileFR
 coriander seed oilFL/FR
 costus root oilFL
 costus valerolactoneFR
 coumarinFR
 currant bud absolute blackFL/FR
 cyclamen aldehydeFL/FR
 cyclohexadecanoneFR
8-cyclohexadecenoneFR
 cyclohexyl crotonateCS
 cyclohexyl ethyl alcoholFL/FR
 cypress absoluteFR
alpha-damasconeFL/FR
beta-damasconeFL/FR
 davana oilFL/FR
 decanalFL/FR
 decanolFL/FR
 decyl acetateFL/FR
 dehydro beta-linaloolFL/FR
 dihydro-beta-ionolFL/FR
 dihydro-beta-iononeFL/FR
(R)-dihydroactinidiolideFL
 dihydrocivetoneFR
 dihydrojasmoneFL/FR
 dimethyl anthranilateFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dodecanalFL/FR
 dodecanolFL/FR
 elecampane root oilFL
 ethyl cinnamateFL/FR
 ethyl laurateFL/FR
 ethyl maltolFL/FR
 ethyl phenyl acetateFL/FR
 ethyl vanillinFL/FR
 ethylene dodecanoateFR
isoeugenyl acetateFL/FR
 fennel seed oilFL/FR
 fir balsam absoluteFR
 floral pyranolFR
 formoxymethyl isolongifoleneFR
 frankincense oilFL/FR
 frankincense resinFL/FR
 gardenia oxideFR
 geraniolFL/FR
 geranyl benzoateFL/FR
 guaiacwood oilFL/FR
 gurjun balsam oilFR
 hay absoluteFR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
 heliotropyl diethyl acetalFR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 hydroxymethyl isolongifolene 50% in dpgFR
 indoleFL/FR
 ionones 
 juniper berry concreteFR
 juniper lactoneFL/FR
delta-juniper lactoneFL/FR
 labdanum absolute resinFL/FR
 labdanum absolute resinoidFL/FR
 labdanum concreteFR
 labdanum ethanoneFR
 labdanum gumFR
 labdanum leaf oilFR
 labdanum oilFL/FR
 labdanum resinFR
 labdanum resinoidFR
 lavender absoluteFL/FR
 leaf acetalFL/FR
 leerallFR
 lilyallFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 linalyl cinnamateFL/FR
isolongifolene ketoneFR
 mastic resinFR
 mcp acetate 
 melon nonenoateFL/FR
2-methoxy-4-vinyl phenolFL/FR
 methyl cedryl ketoneFL/FR
 methyl cinnamateFL/FR
 methyl delta-iononeFL/FR
 methyl dihydrojasmonateFL/FR
 methyl heptine carbonateFL/FR
 methyl ionones 
 methyl isoeugenolFL/FR
 methyl octine carbonateFL/FR
2-methyl undecanalFL/FR
2-methyl undecanal dimethyl acetalFR
 mimosa absoluteFL/FR
 muguet octadienolFR
delta-muscenoneFR
 muscogeneFR
dextro,laevo-musconeFL/FR
normusconeFR
 musk acetateFR
 musk amberolFR
 musk cyclopentenyl propionateFR
 musk decanolideFR
 musk decenoneFR
(E)-12-musk decenoneFR
 musk dimethyl indaneFL/FR
 musk dioneFR
 musk dodecaneFR
 musk etherFR
 musk gx 100%FR
 musk gx 50% in bbFR
 musk gx 50% in depFR
 musk gx 50% in ipmFR
 musk indaneFR
 musk indanoneFR
 musk ketoneCS
 musk lactoneFR
 musk methyl ketoneFR
 musk nonaneFR
 musk pentaneFR
 musk propanoateFR
 musk tetralinFR
 musk tibeteneCS
 musk xylolCS
 musks 
 myrrh oilFL/FR
beta-naphthyl ethyl etherFL/FR
 nerolidolFL/FR
gamma-nonalactoneFL/FR
 nonanalFL/FR
 nonanolFL/FR
 nutmeg oilFL/FR
 oakmoss absoluteFL/FR
 ocean propanalFL/FR
gamma-octalactoneFL/FR
 opoponax absoluteFL/FR
 opoponax resinFL/FR
 opoponax resinoidFR
 orris pyridineFR
 osmanthus absoluteFL/FR
 patchouli ethanoneFR
 patchouli oilFL/FR
omega-pentadecalactoneFL/FR
 peony alcoholFR
 pepper oil blackFL/FR
 peru balsam oilFL/FR
 phenethyl acetateFL/FR
 phenethyl alcoholFL/FR
 phenethyl phenyl acetateFL/FR
 phenyl acetic acidFL/FR
3-phenyl propionaldehydeFL/FR
3-phenyl propyl alcoholFL/FR
 potato butyraldehydeFL
 propyl cinnamateFL/FR
isopropyl cinnamateFL/FR
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
 rhodinolFL/FR
 rose butanoateFL/FR
 rose oxides 
 sandal butenolFR
 sandal pentenolFR
 sandalwood oilFL/FR
 santallFR
 santalyl acetateFL/FR
 satinaldehydeFL/FR
 sclarene 
 sclareolFL/FR
 sclareolideFL/FR
 spruce oilFL/FR
 storax gumFL
 styrax resinFL
 styrax resinoidFL
alpha-terpineolFL/FR
 tetradecanalFL/FR
 tetrahydrolinaloolFL/FR
 timber propanolFR
 tobacco dodecaneFR
 tolu balsamFL/FR
 tonka bean absoluteFR
 tricyclodecenyl isobutyrateFR
gamma-undecalactoneFL/FR
 undecanolFL/FR
10-undecen-1-alFL/FR
10-undecen-1-yl acetateFL/FR
 valerian root oilFL/FR
 valerian root oil chinaFL/FR
 valerian root oil CO2 extract chinaFL/FR
 vanilla absoluteFL/FR
 vanillyl acetateFL/FR
 versalideCS
 verymossFR
 vetiver oilFL/FR
 violet leaf absoluteFL/FR
 violet methyl carbonateFR
 watermelon ketoneFR
 woody acetateFR
 woody amyleneFR
 woody cyclohexanoneFR
 woody dioxolaneFR
 woody dodecaneFR
 woody epoxideFR
 woody etherFR
 woody nonaneFR
 woody propanolFR

potential uses :
 a suma
 abronia
 acacia
 acorn
 aldehydic
 allspice
 alpine bouquet
 amber
 ambreine
 amyris
 angel
 animal
 azalea
 bayberry
 beeswax cire d'abeille
 bellodgia
 boronia
 broom genet genista
 burberry
 butterscotch
 cabochard
 cabreuva
 calamus
 cascarilla
 cassia
 cassia blossom
 cedar forest
 cedarleaf
 champaca champak
 cherry
 christmas blends
 chypre
 cilantro
 cinnamon
 civet
 clean
 cloth clean cloths
 coronilla
 cucumber
 cyclamen
 daffodil narcissus
 dahlia
 daisy
 daphne
 diffusion
 dillenia
 dogwood
 dusty
 elder blossom
 enhancer
 evergreen
 fern fougere
 fetes
 fig
 floral
 flouve blossom
 foliage
 forest
 frangipanni plumeria
 gardenia
 ginger white ginger
 grass sweet grass
 guaiacwood
 hay new mown hay foin coupe
 heather
 herbal
 hinoki
 hugonia
 incense
 iris blossom
 ivy leaf
 lavender
 leather
 licorice
 lily
 linden blossom limeflower tilleul
 liverwort
 lotus
 magnolia
 mango blossom
 marshmallow
 meadow
 moss
 muguet lily of the valley
 musk
 myrrh
 new car
 ocean sea
 opoponax
 oriental
 outdoors fresh outdoors
 passion blossom
 patchouli
 peach blossom
 pear prickly pear
 petal white petal
 petunia
 phlox
 pinon cone
 plum blossom
 poppy
 powder
 privet blossom
 rain spring rain
 reseda mignonette
 rhubarb
 rose
 rose d'orient
 rose moss rose
 rose white rose
 sandalwood
 spice
 tamarind
 tea
 tobacco tabac tabaco
 tonka
 tropical
 tulip
 valerian
 vanilla
 white shoulders
 woodruff asperula
 woody

natural occurrence in :    note
 not found in nature  



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