amber pentadecane
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IUPAC name :1,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[c]furan
InChI :InChI=1/C14H26O/c1-2-4-6-8-10-14-12-15-11-13(14)9-7-5-3-1/h13-14H,1-12H2
InChIKey :ZOMKNVYKXOZLFE-UHFFFAOYAK
SMILES :C1CCCCCC2COCC2CCCC1
cas number :42824-62-4
(EINECS) number :255-957-9
molar refractivity :64.22 ± 0.3 cm3
parachor :553.8 ± 4.0 cm3
index of refraction :1.451 ± 0.02
surface tension :29.2 ± 3.0 dyne/cm
density :0.883 ± 0.06 g/cm3
polarizability :25.45 ± 0.5 10-24cm3
XlogP : 5.30
XlogP3-AA : 5.20
molecular weight : 210.3556400 (IUPAC)
formula :C14 H26 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Nanjing :cyclododeca[c]furan,tetradecahydro-

organoleptics :
odor type :woody
odor strength :medium
odor description :¹
at 100.00 %.  
warm woody dry amber old wood
odor sample from :Henkel Corporation
substantivity :160  Hour(s)

properties :
appearence :colorless clear liquid to solid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.96100 @ 25.00 °C.
refractive index :1.49100 to 1.49500 @ 20.00 °C.
boiling point : 92.00 to 94.00 °C. @ 0.20 mm Hg
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 5.26

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-Mouse    5.00  gm/kg

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

safety in use :
 
recommendation for amber pentadecane usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for amber pentadecane usage levels up to :
 not for flavor use.

safety references :
EPI System :view
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 1,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[c]furan
(EINECS) number :255-957-9
chemidplus :042824624
EPA Substance Registry Services :42824-62-4

references :
 1,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[c]furan
pubchem :748206

other :
reference : Luebke, William tgsc, (1986)¹
synonyms :
14-oxabicyclo(10.3.0)pentadecane
 cyclamber
14-oxabicyclo[10.3.0]pentadecane
 tetradecahydrocyclododeca(c)furan
1,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[c]furan

soluble in :
 alcohol

insoluble in :
 water

stability :
 most media

(odor and/or flavor) blends with :
 abies alba mill oil
 acetophenone
alpha-ambrinol
 bitter orange oil
 calamus oil
 cananga oil
 cardamom seed oil
 castoreum absolute
 cedarwood oil
 cedryl methyl ether
 chamomile oil
 clary sage oil
 cypress oil
 cypriol
 deertongue absolute
 elecampane absolute
 elemi oil
 flouve absolute
 ginger root oil
 herbal undecanone
 hexyl benzoate
 hexyl salicylate
 immortelle absolute
 juniper berry oil
 kuromoji leaf oil
 laurel leaf oil
 lavandin oil
 lavender absolute
 lemon oil
 manevoro oil
 melilot absolute
 methyl benzoate
 methyl cedryl ketone
 myrtle oil
 olibanum oil
 opoponax oil
 orris absolute
 patchouli oil
 peru balsam oil
 pimento berry oil
 rosemary oil
 sandalwood oil
 tolu balsam
 turmeric root oil

(odor and/or flavor) used in :
 amber
 balsam
 musk
 oriental
 woody

natural occurrence in :
not found in nature



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