cyclohexadecanone
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IUPAC name :cyclohexadecanone
InChI :InChI=1/C16H30O/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h1-15H2
InChIKey :LXJDKGYSHYYKFJ-UHFFFAOYAK
SMILES :C1CCCCCCCC(=O)CCCCCCC1
cas number :2550-52-9
molar refractivity :73.91 ± 0.3 cm3
parachor :646.5 ± 6.0 cm3
index of refraction :1.440 ± 0.02
surface tension :28.3 ± 3.0 dyne/cm
density :0.850 ± 0.06 g/cm3
polarizability :29.30 ± 0.5 10-24cm3
XlogP : 5.30
XlogP3-AA : 6.40
molecular weight : 238.4088000 (IUPAC)
formula :C16 H30 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Symrise :Isomuscone®
Symrise :Isomuscone®
50% DEP
Symrise :Isomuscone®
50% IPM
Vigon :Cyclohexadecanone Isomuscone
Vigon :Isomuscone
50% in IPM

organoleptics :
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  
powdery musk
substantivity :400  Hour(s)

properties :
appearence :white to pale tan powder
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 72.00 to 76.00 °C. @ 760.00 mm Hg
boiling point : 340.00 to 341.00 °C. @ 760.00 mm Hg
vapor density :8.3 ( Air = 1 )
flash point : 299.00  °F.  TCC  ( 148.33 °C. )
logP (o/w) : 6.41
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 36/37/38 - Irritating to eyes, respiratory system, and 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    >2000.00  mg/kg

Dermal Toxicity(LD50) :
  Skin-Rabbit  >2000.00  mg/kg

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for cyclohexadecanone fragrance usage levels up to :
  2.0000 % in the fragrance concentrate.
recommendation for cyclohexadecanone flavor usage levels up to :
 not for flavor use.

safety references :
EPI System :view
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
cyclohexadecanone
chemidplus :002550529
EPA Substance Registry Services :2550-52-9

references :
 
cyclohexadecanone
NIST Chemistry WebBook :583088953
pubchem :217916

other :
synonyms :
isomuscone

soluble in :
 alcohol

insoluble in :
 water

potential blenders :
 allyl amyl glycolateFR
 amber carbinolFR
 ambrette seed oilFL/FR
 ambroxanFL/FR
isoamyl benzoateFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFR
 angelica root oilFL/FR
 animal carbolactoneFR
para-anisyl alcoholFL/FR
 benzoin resinoidFL/FR
 benzyl salicylateFL/FR
 bois de rose oilFL/FR
isobutyl cinnamateFL/FR
 carrot seed oilFL/FR
 cassia bark 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 phenyl acetateFL/FR
 cyclamen aldehydeFL/FR
 decanolFL/FR
9-decen-1-olFL/FR
 decyl acetateFL/FR
 dimethyl benzyl carbinolFL/FR
 dodecanalFL/FR
 dodecanolFL/FR
 ethyl cinnamateFL/FR
 ethyl laurateFL/FR
 ethyl maltolFL/FR
 ethyl vanillinFL/FR
isoeugenyl acetateFL/FR
 fir balsam absoluteFL/FR
 floral pyranolFR
 frankincense oilFL/FR
 guaiacwood oilFL/FR
 gurjun balsam oilFR
 hay absoluteFR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
 heliotropyl diethyl acetalFL/FR
gamma-heptalactoneFL/FR
gamma-hexalactoneFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 ho leaf oilFL/FR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 indoleFL/FR
 ionones 
 labdanum resinoidFR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 marine pyridineFR
 methyl acetophenoneFL/FR
 methyl cedryl ketoneFL/FR
alpha-methyl cinnamaldehydeFL/FR
 methyl cinnamateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl ionones 
 methyl isoeugenolFL/FR
 muguet carboxaldehydeFR
 muguet octadienolFR
 musks 
 myrrh oilFL/FR
beta-naphthyl ethyl etherFL/FR
 nerolidolFL/FR
 oakmoss absoluteFL/FR
 ocean propanalFL/FR
gamma-octalactoneFL/FR
 orris pyridineFL/FR
 patchouli ethanoneFR
 patchouli oilFL/FR
 pepper oil blackFL/FR
 phenethyl alcoholFL/FR
 phenethyl phenyl acetateFL/FR
3-phenyl propyl alcoholFL/FR
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
 rhodinolFL/FR
 santallFR
 tobacco dodecaneFR
 tonka bean absoluteFR
gamma-undecalactoneFL/FR
 undecanolFL/FR
 vanilla absoluteFL/FR
 vanillyl acetateFL/FR
 verymossFR
 vetiver oilFL/FR
 watermelon ketoneFR
 woody acetateFR
 woody amyleneFR
 woody propanolFR

potential uses :
 acacia
 allspice
 ambergris
 ambrette
 amyris
 angelica
 animal
 burberry
 cabreuva
 cassia
 cassia blossom
 cassie acacia farnesiana
 cedar forest
 christmas blends
 cloth clean cloths
 clove blossom
 cyclamen
 dusty
 fantasy blends
 fern fougere
 fir balsam
 fir needle
 flouve blossom
 foliage
 forest
 frangipanni plumeria
 ginger white ginger
 grass sweet grass
 guaiacwood
 habuba
 hawthorn
 heather
 heliotrope
 hollyberry
 hugonia
 incense
 iris blossom
 kewda
 lavender
 leather
 lemon
 lily
 magnolia
 meadow
 moss
 muguet lily of the valley
 musk
 oakwood
 ocean sea
 petunia
 phlox
 powder
 rain
 rose white rose
 sandalwood
 spice
 spicewood
 tobacco tabac tabaco
 tonka
 vanilla
 verbena verveine
 woodruff asperula
 woody

natural occurrence in :
 not found in nature  



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