alpha-cadinol
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IUPAC name :(1R,4S,4aR)-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-,13-,14u,15+/m0/s1
InChIKey :LHYHMMRYTDARSZ-ZAQQFOKRBH
SMILES :CC1=C[C@H]2[C@@H](CC[C@@](C2CC1)(C)O)C(C)C
cas number :481-34-5
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 :alpha-cadinol
organoleptics :
odor strength :medium
odor description :
at 100.00 %.  		herb wood
properties :
appearence :pale yellow crystalline solid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 74.00 to 76.00 °C. @ 760.00 mm Hg
boiling point : 302.00 to 304.00 °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 alpha-cadinol usage levels up to :
  3.0000 % in the fragrance concentrate.
safety references :
EPI System :view
 
 
 
 (1R,4S,4aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
chemidplus :000481345
EPA Substance Registry Services :481-34-5
references :
 (1R,4S,4aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
pubchem :39345055
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 cadin-4-en-10alpha-ol
(1R,4S,4aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
soluble in :
 alcohol
insoluble in :
 water
natural occurrence in :
data pageangelica root oil @ 0.06%
data pageartemisia campestris spp. glutinosa flower oil italy @ 0.50%
data pageartemisia variabilis flower oil italy @ 0.90%
data pagebay leaf oil @ 0.00-0.30%
data pagebay leaf oil clove @ 0.2%
data pagebombycilaena erecta oil greece @ 0.40%
data pagecajuput oil vietnam @ trace%
data pagecalamus root oil mongolia @ 0.70%
data pagecananga leaf oil @ 0.8%
data pagecarrot seed oil spain @ 0.10-0.90%
data pagecinnamon fruit oil india @ 1.0-1.5%
data pagecistus oil @ 0.6%
data pageclary sage oil spain @ 1.10%
data pagecypress cone oil egypt @ 0.2%
data pagecypress oil @ trace%
data pageeucalyptus camaldulensis dehn. leaf oil jerusalem @ 0.90%
data pageeucalyptus globulus fruit oil @ 0.20%
data pagegeranium rose-scented oil (pelargonium spp.) cuba @ 0.20%
data pageglycosmis pentaphylla (cor.) bark oil india @ 0.50%
data pageguava fruit oil reunion @ 1.40%
data pagehinoki root oil @ 5.28%
data pagehinoki wood oil @ 20.51%
data pagehyptis suaveolens (l.) poit. oil mali @ 0.30-0.70%
data pagejambu flower oil brazil @ 0.40%
data pagejuniper berry oil @ 0.80%
data pagelabdanum oil @ 1.32%
data pagelaurel leaf oil turkey @ 0.10%
data pagelaurel leaf oil turkey @ 0.30-0.40%
data pagelaurel leaf oil turkey @ 0.50%
data pagelayana oil kenya @ trace%
data pagelemongrass oil @ 0.44%
data pagelime oil distilled mexico @ 0.04%
data pagelime oil distilled peru @ 0.03%
data pagelime oil expressed florida @ 0.1%
data pagemangrove bark red oil cuba @ 0.20%
data pagemarjoram oil spain @ trace%
data pagemarjoram oil sweet cuba @ trace%
data pagemicrostrobos niphophilus leaf oil australia @ 2.10%
data pagemikania cordata (burm. f.) b.l. robinson var. cordata leaf oil france @ 1.60%
data pagenepeta betonicifolia c.a. meyer oil turkey @ 0.10%
data pageoriganum vulgare l. ssp. vulgare oil himalaya @ 1.40%
data pagepepper tree leaf oil @ trace%
data pagephlomis fruticosa l. flower oil greece @ 1.10%
data pagepimenta leaf oil @ 4.94%
data pagepine needle oil dwarf @ 5.82%
data pagepinus sylvestris l. needle oil estonia @ 2.70%
data pagepiper cernum vell. var. cernum yuncker leaf oil brazil @ 2.40%
data pagepolyalthia australis (benth.) jessup leaf oil australia @ 0.80%
data pageprangos uechtritzii boiss. et hausskn. fruit oil turkey @ 1.30%
data pagepteronia oil @ 0.50%
data pagerosemary oil CO2 extract @ 0.19%
data pagesage oil reunion @ trace%
data pagesatureja viminea l. oil costa rica @ 0.10%
data pagesideritis montana l. oil bulgaria @ 0.80%
data pagesideritis scardica l. oil bulgaria @ 5.20%
data pagestachys recta l. oil serbia @ 0.60%
data pagethevetia peruviana (pers.) k. schum. flower oil brazil @ 0.20%
data pagethyme oil red spain @ trace-0.05%
data pagethyme oil spain @ 0.04%
data pagethyme oil spain @ 0.05%
data pagethyme oil wild or creeping canada @ 5.90%
data pagethyme oil wild or creeping france @ 2.90%
data pagevassoura oil @ 1.60%
data pagewormwood oil cuba @ 0.17%
data pagewormwood oil italy @ trace%
data pageyarrow oil @ 0.40%
data pageyarrow oil greece @ 0.10%
data pageylang ylang oil @ 0.12%
data pagezanthoxylum bracchyacanthum l. leaf oil australia @ 0.90%



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