amber dodecane
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IUPAC name :1-methoxy-1-methylcyclododecane
InChI :InChI=1/C14H28O/c1-14(15-2)12-10-8-6-4-3-5-7-9-11-13-14/h3-13H2,1-2H3
InChIKey :QACBYNLZEUNZSC-UHFFFAOYAX
SMILES :CC1(CCCCCCCCCCC1)OC
cas number :37514-30-0
(EINECS) number :253-534-3
beilstein number :2238172
molar refractivity :66.57 ± 0.4 cm3
parachor :577.8 ± 6.0 cm3
index of refraction :1.450 ± 0.03
surface tension :29.6 ± 5.0 dyne/cm
density :0.85 ± 0.1 g/cm3
polarizability :26.39 ± 0.5 10-24cm3
XlogP : 5.70
XlogP3-AA : 5.30
molecular weight : 212.3715200 (IUPAC)
formula :C14 H28 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Givaudan :Madrox®
Odor:  Woody, Tobacco, Ambery, Warm
Nanjing :1-methoxy-1-methyl-cyclododecane
Penta :1-methylcyclododecyl methyl ether

organoleptics :
odor type :woody
odor strength :medium
odor description :¹
at 100.00 %.  
woody celery musk ambergris old wood
odor sample from :Givaudan Corporation
substantivity :28  Hour(s)

properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.92100 @ 25.00 °C.
refractive index :1.48000 @ 20.00 °C.
boiling point : 248.00 to 249.00 °C. @ 760.00 mm Hg
vapor pressure :0.00800 mm/Hg @ 20.00 °C.
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 5.91

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    >5000.00  mg/kg
Food and Chemical Toxicology. Vol. 30, Pg. 81S, 1992.

Dermal Toxicity(LD50) :
  Skin-Rabbit  5000.00  mg/kg
Food and Chemical Toxicology. Vol. 30, Pg. 81S, 1992.

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for amber dodecane usage levels up to :
  10.0000 % in the fragrance concentrate.
recommendation for amber dodecane 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-methoxy-1-methylcyclododecane
(EINECS) number :253-534-3
chemidplus :037514300
EPA Substance Registry Services :37514-30-0

references :
 1-methoxy-1-methylcyclododecane
pubchem :739478

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1986)¹
CosIng :cosmetic data
synonyms :
 madrox
1-methoxy-1-methyl cyclododecane
1-methoxy-1-methylcyclododecane
1-methyl cyclododecyl methyl ether

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetophenone
 acetoxymethyl isolongifolene
 acetyl cedrene
 amber acetate
 amber butanol
 amber carbinol
 amber cyclohexanol
 amber decane
 amber decatriene
 amber dioxane
 amber formate
 amber furan
 amber naphthofuran
 amber pentadecane
 ambreine
 ambrene acetal
 ambroxan
 ambroxide
isoamyl salicylate
 amyris wood oil
 angelica root oil
 angelica seed oil
 animal carbolactone
 beeswax absolute
 benzoin resinoid
 bois de rose oil
 boronia butenal
isobutyl angelate
isobutyl benzyl carbinol
3-butyl phthalide
isobutyl salicylate
3-butylidene phthalide
alpha-campholenic aldehyde
 caramel furanone
 carrot seed oil
 cassia bark oil
 cedarwood absolute atlas
 cedarwood oil atlas
 cedarwood oils
alpha-cedrene epoxide
 cedryl methyl ether
 celery ketone
 celery leaf oil
 celery seed oil
 celery seed oil CO2 extract
 celery seed oleoresin
 celery undecene
 cistus absolute
 cistus oil
 costus valerolactone
 currant bud absolute black
 cyclamen aldehyde
 cyclopentyl mercaptan
gamma-decalactone
 decanol
 dihydrojasmone
 diphenyl oxide
 dodecanal
 dodecanol
 ethyl laurate
 ethyl maltol
isoeugenyl acetate
 fenugreek absolute
 floral pyranol
 formoxymethyl isolongifolene
 frankincense oil
 frankincense resinoid
 galbanum oil
 guaiacwood oil
 gurjun balsam oil
 heliotropyl acetone
 hexahydrofarnesyl acetone
alpha-hexyl cinnamaldehyde
 hydroxymethyl isolongifolene 50% in dpg
 immortelle absolute
 indole
(Z)-jasmone
isojasmone
 labdanum absolute resinoid
 labdanum leaf oil
 labdanum oil
 labdanum resinoid
 lilyall
laevo-linalool
isolongifolene ketone
 lovage herb oil
 lovage oleoresin
 lovage root absolute
 lovage root oil
 maltol
 mcp acetate
 melon heptenal
2-methoxy-4-vinyl phenol
 methyl cedryl ketone
 methyl dihydrojasmonate
 methyl heptine carbonate
2-methyl undecanal
 musk dimethyl indane
 musks
 myrrh resin
 nerolidol
(E,Z)-2,6-nonadien-1-ol
gamma-nonalactone
 nonanol
(Z)-6-nonen-1-al
 ocean propanal
gamma-octalactone
 opoponax absolute
 opoponax resinoid
 patchouli ethanone
 patchouli oil
2-pentadecanone
 phenethyl phenyl acetate
3-propylidene phthalide
 raspberry ketone
 sandal pentenol
 santall
 sclarene
 sclareolide
 spruce oil
 styrax oil
 styrax resinoid
 timber dioxolane
 timber propanol
 tobacco dodecane
 tonka bean absolute
gamma-undecalactone
10-undecen-1-al
 verbenone
 verymoss
 violet leaf absolute
 watermelon ketone
 whiskey lactone
 woody acetate
 woody cyclohexanone
 woody dioxolane
 woody dodecane
 woody nonane

(odor and/or flavor) used in :
 amber
 ambergris
 fern fougere
 labdanum
 moss
 musk
 tobacco tabac tabaco
 woody

natural occurrence in :
not found in nature



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