musk acetate
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IUPAC name :1-(3,3-dimethylcyclohexyl)ethyl acetate
InChI :InChI=1/C12H22O2/c1-9(14-10(2)13)11-6-5-7-12(3,4)8-11/h9,11H,5-8H2,1-4H3
InChIKey :YWVSYRJWCROMKO-UHFFFAOYAD
SMILES :CC(C1CCCC(C1)(C)C)OC(=O)C
cas number :25225-10-9
(EINECS) number :246-737-3
molar refractivity :57.26 ± 0.3 cm3
parachor :498.8 ± 6.0 cm3
index of refraction :1.440 ± 0.02
surface tension :27.9 ± 3.0 dyne/cm
density :0.913 ± 0.06 g/cm3
polarizability :22.70 ± 0.5 10-24cm3
XlogP : 4.30
molecular weight : 198.3018800 (IUPAC)
formula :C12 H22 O2
NMR Predictor :Predict
 
 
export tariff code :2915.39.9050
fda reg :unspecified
Suppliers :
IFF :Rosamusk
≥85% (sum of isomers)
Odor:  Floral, Musk, Geranium
Unusual combination of rose with musky, pear, violet modifications. Also discernible are fruity and geranium aspects. Superb for cosmetic applications.
Moellhausen :rosamusk
80% min. nature identical kosher
Odor:  unusual musk, floreal and fruity note
organoleptics :
odor type :floral
odor strength :medium
odor description:
at 100.00 %.  		floral rose musk fruity geranium
Luebke, William tgsc, (1988)
odor sample from :International Flavors & Fragrances Inc.
substantivity :3 hour(s) at 100.00 %
properties :
appearence :colorless clear liquid
assay : 85.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.92200 to 0.93200 @ 25.00 °C.
pounds per gallon - calc. : 7.672 to 7.755
specific gravity :0.92300 to 0.93300 @ 20.00 °C.
pounds per gallon - calc. : 7.689 to 7.773
refractive index :1.44500 to 1.45100 @ 20.00 °C.
flash point : 191.00  °F.  TCC  ( 88.33 °C. )
logP (o/w) : 4.15
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 24/25 - Avoid contact with skin and eyes.
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) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
 
recommendation for musk acetate fragrance usage levels up to :
  20.0000 % in the fragrance concentrate.
recommendation for musk acetate flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
1-(3,3-dimethylcyclohexyl)ethyl acetate
(EINECS) number :246-737-3
chemidplus :025225109
EPA Substance Registry Services :25225-10-9
references :
Leffingwell :chirality
 
1-(3,3-dimethylcyclohexyl)ethyl acetate
pubchem :668078
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
RIFM :listed
FMA :listed
synonyms :
1-(3,3-dimethylcyclohexyl)ethyl acetate
 musk acetate
 rosamusk
alpha,3,3-trimethyl cyclohexane-1-methanol acetate
alpha-3,3-trimethyl cyclohexane-1-methanyl acetate
alpha,3,3-trimethyl cyclohexyl methyl acetate
soluble in :
 alcohol
insoluble in :
 water
stability :
 acid cleaner
 alcoholic lotion
 antiperspirant
 deo stick
 detergent
 fabric softener
 hard surface cleaner
 shampoo
 soap
potential blenders :    note
alpha-amyl cinnamaldehydeFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFL/FR
para-anisyl alcoholFL/FR
 benzoin resinoidFL/FR
 benzyl alcoholFL/FR
 benzyl cinnamateFL/FR
 benzyl salicylateFL/FR
 bois de rose oilFL/FR
isobutyl cinnamateFL/FR
 cedarwood oils 
 cinnamyl alcoholFL/FR
 citronellolFL/FR
 clove bud oilFL/FR
 coriander seed oilFL/FR
 costus valerolactoneFR
 coumarinFR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
alpha-damasconeFL/FR
beta-damasconeFL/FR
 decanolFL/FR
9-decen-1-alFL/FR
 decyl acetateFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 diphenyl oxideFL/FR
 ethyl cinnamateFL/FR
 ethyl vanillinFL/FR
 fir balsam absoluteFR
 floral pyranolFR
 galbanum oilFL/FR
 gardenia oxideFR
 geraniolFL/FR
 geranium oilFL/FR
 guaiacwood oilFL/FR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
gamma-heptalactoneFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hyacinth etherFR
 ionones 
laevo-linaloolFL/FR
 linalool oxideFL/FR
 methyl anthranilateFL/FR
 methyl cinnamateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl ionones 
 musks 
beta-naphthyl ethyl etherFL/FR
 nerolFL/FR
 nerolidolFL/FR
 nonanolFL/FR
 nutmeg oilFL/FR
 ocean propanalFL/FR
gamma-octalactoneFL/FR
 orangeflower absoluteFL/FR
 orris pyridineFR
 patchouli ethanoneFR
 peony alcoholFR
 phenethyl alcoholFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl propionateFL/FR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
3-phenyl propyl alcoholFL/FR
 raspberry ketoneFL/FR
 rhodinolFL/FR
 rose butanoateFL/FR
 santallFR
alpha-terpineolFL/FR
 tobacco dodecaneFR
 tonka bean absoluteFR
gamma-undecalactoneFL/FR
 undecanolFL/FR
10-undecen-1-alFL/FR
 vanilla absoluteFL/FR
 verymossFR
 watermelon ketoneFR
 woody acetateFR
 woody amyleneFR
potential uses :
 agrumen
 aldehydic
 algae
 ash mountain ash
 ash mountain ash blossom
 bark
 blossom
 botanical
 boxwood
 burberry
 carnation dianthus oeillet
 cherry black cherry
 cherry blossom
 christmas blends
 cilantro
 cloth clean cloths
 clover trefle le'trefle incarnat
 crabapple blossom
 dahlia
 daisy
 daphne
 davana
 dewy
 dillenia
 fantasy blends
 fern fougere
 fir balsam
 floral
 flouve blossom
 freesia
 fungus
 geranium
 gingergrass
 herbal
 hugonia
 leaf autumn leaf
 lily
 maja
 mango blossom
 musk
 natural
 new car
 orchid
 peony
 petal waxy petal
 plum blossom
 rose
 rose d'orient
 rose red rose
 sap
 stock evening scented stock
 tropical
 tulip
 valerian
 waxy
 wet fields
 wistaria wisteria glycine
natural occurrence in :    note
 not found in nature  

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