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
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 usage levels up to :
  2.0000 % in the fragrance concentrate.
recommendation for cyclohexadecanone 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

(odor and/or flavor) blends with :
 allyl amyl glycolate
 amber carbinol
 ambrette seed oil
 ambroxan
isoamyl benzoate
alpha-amyl cinnamaldehyde
isoamyl salicylate
 amyris wood oil
 angelica root oil
 animal carbolactone
para-anisyl alcohol
 benzoin resinoid
 benzyl salicylate
 bois de rose oil
isobutyl cinnamate
 carrot seed oil
 cassia bark oil
 cedarwood oils
 cinnamyl alcohol
 cistus oil
 citronellol
 clary sage oil
 clover nitrile
 coriander seed oil
 costus valerolactone
 coumarin
para-cresyl phenyl acetate
 cyclamen aldehyde
 decanol
9-decen-1-ol
 decyl acetate
 dimethyl benzyl carbinol
 dodecanal
 dodecanol
 ethyl cinnamate
 ethyl laurate
 ethyl maltol
 ethyl vanillin
isoeugenyl acetate
 fir balsam absolute
 floral pyranol
 frankincense oil
 guaiacwood oil
 gurjun balsam oil
 hay absolute
 heliotropin
 heliotropyl acetone
 heliotropyl diethyl acetal
gamma-heptalactone
gamma-hexalactone
(Z)-3-hexen-1-yl salicylate
alpha-hexyl cinnamaldehyde
 ho leaf oil
 hyacinth ether
 hydroxycitronellal
 indole
 ionones
 labdanum resinoid
laevo-linalool
 linalool oxide
 marine pyridine
 methyl acetophenone
 methyl cedryl ketone
alpha-methyl cinnamaldehyde
 methyl cinnamate
 methyl dihydrojasmonate
 methyl ionones
 methyl isoeugenol
 muguet carboxaldehyde
 muguet octadienol
 musks
 myrrh oil
beta-naphthyl ethyl ether
 nerolidol
 oakmoss absolute
 ocean propanal
gamma-octalactone
 orris pyridine
 patchouli ethanone
 patchouli oil
 pepper oil black
 phenethyl alcohol
 phenethyl phenyl acetate
3-phenyl propyl alcohol
 raspberry ketone
 raspberry ketone acetate
 raspberry ketone methyl ether
 rhodinol
 santall
 tobacco dodecane
 tonka bean absolute
gamma-undecalactone
 undecanol
 vanilla absolute
 vanillyl acetate
 verymoss
 vetiver oil
 watermelon ketone
 woody acetate
 woody amylene
 woody propanol

(odor and/or flavor) used in :
 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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