delta-cadinol
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IUPAC name :(1S,4S)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
InChI :InChI=1/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13u,14u,15-/m0/s1
InChIKey :LHYHMMRYTDARSZ-PPWQZUPIBI
SMILES :CC1=CC2[C@@H](CC[C@](C2CC1)(C)O)C(C)C
cas number :36564-42-8
molar refractivity :68.54 ± 0.3 cm3
parachor :560.8 ± 6.0 cm3
index of refraction :1.489 ± 0.02
surface tension :31.2 ± 3.0 dyne/cm
density :0.937 ± 0.06 g/cm3
polarizability :27.17 ± 0.5 10-24cm3
XlogP : 4.50
XlogP3-AA : 3.30
molecular weight : 222.3663400 (IUPAC)
formula :C15 H26 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Nanjing :delta-cadinol

organoleptics :
odor strength :medium
odor description :
at 100.00 %.  
herbal

properties :
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 302.00 to 303.00 °C. @ 760.00 mm Hg
flash point : 263.00  °F.  TCC  ( 128.33 °C. )
logP (o/w) : 4.95

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

safety in use :
 
recommendation for delta-cadinol usage levels up to :
  3.0000 % in the fragrance concentrate.

safety references :
EPI System :view
 
 
 
 (1S,4S)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
chemidplus :36564-42-8
EPA Substance Registry Services :36564-42-8

references :
 (1S,4S)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
NIST Chemistry WebBook :110441349
pubchem :10520343

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(1S,4S)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
tau-muurolol
4-isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenol

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :
data pageamyris wood oil @ 0.20%
annona atemoya
data pagebasil oil sweet poland @ 0.52%
data pagebetel leaf oil @ 1.19%
data pagecypress oil @ trace%
data pagemastic fruit oil @ 3.89%
data pagemastic leaf oil @ 3.56%
data pagethyme oil red spain @ trace-0.09%



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