woody ether
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IUPAC name :methoxycyclododecane
InChI :InChI=1/C13H26O/c1-14-13-11-9-7-5-3-2-4-6-8-10-12-13/h13H,2-12H2,1H3
InChIKey :WDSOYUINLRIGNV-UHFFFAOYAL
SMILES :COC1CCCCCCCCCCC1
cas number :2986-54-1
(EINECS) number :221-053-8
molar refractivity :61.91 ± 0.4 cm3
parachor :539.5 ± 6.0 cm3
index of refraction :1.447 ± 0.03
surface tension :29.5 ± 5.0 dyne/cm
density :0.85 ± 0.1 g/cm3
polarizability :25.54 ± 0.5 10-24cm3
XlogP : 5.30
molecular weight : 198.3449400
formula :C13 H26 O
 
 
export tariff code :2909.20.00
fda reg :unspecified

Suppliers :
Penta :methyl cyclododecyl ether
Symrise :Palisandin
Odor:  woody, cedarwood-like, with earthy patchouli and tobacco accents

organoleptics :
odor type :woody
odor strength :medium
odor description :¹
at 100.00 %.  
cedar woody dry musk amber patchouli tobacco
odor sample from :Harrmann & Reimer Corporation
substantivity :76  Hour(s)

properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.91000 to 0.91500 @ 25.00 °C.
pounds per gallon - calc. : 7.572 to 7.614
refractive index :1.47200 to 1.47500 @ 20.00 °C.
melting point : 8.00 to 10.00 °C. @ 760.00 mm Hg
boiling point : 96.00 to 100.00 °C. @ 2.00 mm Hg
flash point : 248.00  °F.  TCC  ( 120.00 °C. )
logP (o/w) : 5.36

safety :
most important hazard(s) :Xi N - Irritant, Dangerous for the environment.
  R 36/38 - Irritating to skin and eyes.
R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
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 37/39 - Wear suitable gloves and eye/face protection.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
Oral Toxicity(LD50) :
  Oral-Mouse    >2000.00  mg/kg

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

safety in use :
 
recommendation for woody ether usage levels up to :
  3.0000 % in the fragrance concentrate.
recommendation for woody ether usage levels up to :
 not for flavor use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 3082
 
WGK Germany :2
 
 
 
 methoxycyclododecane
(EINECS) number :221-053-8
chemidplus :002986541
EPA Substance Registry Services :2986-54-1

references :
 methoxycyclododecane
NIST Chemistry WebBook :2604006832
pubchem :653415

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1987)¹
CosIng :cosmetic data
synonyms :
 corps 749
 cyclododecyl methyl ether
 dodecyl methyl ether
 methoxycyclododecane
 methyl cyclododecyl ether
 methyl dodecyl ether
 palisandin

soluble in :
 alcohol
 water, 12 mg/L @ 20C

insoluble in :
 water

(odor and/or flavor) blends with :
 acetyl cedrene
2-acetyl pyridine
1-allyl-2,2,7,7-tetramethyl cycloheptanol
 amber decane
 amber decatriene
 amber dodecane
 amber pentadecane
 ambergris naphthol
 ambrene acetal
 ambrette seed absolute
 ambrette seed oil
 ambrinol
alpha-ambrinol
 ambroxan
 ambroxide
 amyl benzoate
alpha-amyl cinnamyl isovalerate
 amyl phenyl acetate
 amyris acetate
 beeswax absolute
1-benzoyl acetone
 boronia butenal
 bran absolute
para-tert-butyl cyclohexanone
alpha-cadinene
delta-cadinene
 capsicum oleoresin
 caryophyllene alcohol acetate
beta-caryophyllene alcohol acetate
 cedanol
 cedar cyclododecatriene
 cedarleaf oil western red
 cedarwood oil atlanta
 cedarwood oil epoxidized
 cedarwood oil himalaya
 cedarwood oil texas
 cedarwood oil virginia
 cedralone
 cedrela wood oil
alpha-cedrene
alpha-cedrene epoxide
 cedrenol
 cedrenyl acetate
 cedrol
 cedrol methyl ether
 cedryl acetate
 chamomile flower oil germany
 civet decenone
para-cresyl isovalerate
 cyclohexanone diethyl acetal
(E)-beta-damascone
(Z)-beta-damascone
beta-damascone
delta-damascone
2-decalinyl formate
 deertongue absolute
N,N-diethyl octanamide
 ethyl 3-hydroxyhexanoate
3-ethyl pyridine
 ethylene brassylate
 fenchyl alcohol
 fig leaf absolute
 floral undecenone
 genet absolute
 guaiacyl acetate
 guaiene
 hay absolute
 hemlock western oil
 herbal norbornane
gamma-hexalactone
 hibawood oil
2'-hydroxyacetophenone
 lavandin water absolute
isolongifolene ketone
 mate absolute
 methyl 2-furoate
 methyl benzoxole
 methyl delta-ionone
 methyl nicotinate
6-methyl quinoline
 mint lactone
 musk amberol
 musk decanolide
 musk indanone
 musk lactone
 musk methyl ketone
 paprika oleoresin
 patchouli ethanol
 patchouli hexanol
 patchouli indene
 patchouli oil china
 phenyl acetic acid
isophorone
ketoisophorone
 pinacol
 pine hexanol
 propenyl guaethol
2-propyl pyridine
 quinoline
 saffron indenone
 saffron resinoid
 safranal
 sandal butenol
 sandal pentenol
 seaweed absolute
 sugi wood oil
 theaspirane
 timber propanol
 tobacco butenal
 tobacco concrete
 tobacco cyclohexenone
 tobacco dodecane
 tobacco flower absolute
 tobacco leaf absolute
 tobacco nonene
 tonka undecanone
 tonkavert
 treemoss absolute
 tricyclo(5.2.1.02,6)dec-3-enyl acetate
 woodruff absolute
 woody acetate
 woody carboxylate
 woody dioxolane
 woody dodecane
 woody epoxide
 woody propanol

(odor and/or flavor) used in :
 amber
 cedar
 dry
 earth humus
 herbal
 musk
 patchouli
 tobacco tabac tabaco
 woody

natural occurrence in :
not found in nature



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