beta-eudesmol
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IUPAC name :2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-ol
InChI :InChI=1/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12-13,16H,1,5-10H2,2-4H3/t12-,13+,15-/m1/s1
InChIKey :BOPIMTNSYWYZOC-VNHYZAJKBC
SMILES :C[C@]12CCCC(=C)[C@@H]1C[C@@H](CC2)C(C)(C)O
cas number :473-15-4
beilstein number :5735560
molar refractivity :68.45 ± 0.4 cm3
parachor :562.7 ± 6.0 cm3
index of refraction :1.498 ± 0.03
surface tension :33.9 ± 5.0 dyne/cm
density :0.95 ± 0.1 g/cm3
polarizability :27.13 ± 0.5 10-24cm3
XlogP : 4.80
molecular weight : 222.3663400
formula :C15 H26 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Sigma-Aldrich-Sigma :b-eudesmol
BioChemika, ≥90% (HPLC)
organoleptics :
odor type :woody
odor description :
at 100.00 %.  		wood green
properties :
appearence :pale beige powder
assay : 92.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 72.00 to 74.00 °C. @ 760.00 mm Hg
boiling point : 301.00 to 302.00 °C. @ 760.00 mm Hg
flash point : 227.00  °F.  TCC  ( 108.33 °C. )
logP (o/w) : 4.68
safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
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 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) :
  Oral-Mouse    >2000.00  mg/kg

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for beta-eudesmol usage levels up to :
  5.0000 % in the fragrance concentrate.
safety references :
EPI System :view
Cancer Citations :Search
Toxicology Citations :Search
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-ol
RTECS :QJ9698500 for 473-15-4
chemidplus :000473154
EPA Substance Registry Services :473-15-4
references :
 2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-ol
NIST Chemistry WebBook :473154
pubchem :668208
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(2R,4aR,8aS)-decahydro-8-methylene-a,a,4a-trimethyl-2-naphthyl methanol
 eudesm-4(14)-en-11-ol
4(15)-eudesmen-11-ol
(+)-beta-eudesmol
2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-ol
beta-selinenol
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 apple ketal
 bergoxane
 bicyclogermacrene
 birch bud oil
 bornyl salicylate
beta-cadinene
alpha-campholenic aldehyde
isocyclogeraniol
isodihydrolavandulal
 elemi oil
alpha-elemol
isoeugenyl formate
 fir balsam absolute
 fresh nitrile
 galbanum oil
 galbanum oleoresin
 galbanum resinoid
 green acetate
 heptanol
(E)-2-hexen-1-yl salicylate
6-hydroxydihydrotheaspirane (mixture of isomers)
 karo karounde absolute
 linalool
para-methyl hydratropaldehyde
alpha-methylene citronellal
 neroli ketone
(Z)-6-nonen-1-al
 nonisyl formate
 oakmoss absolute
beta-ocimene
 octanal propylene glycol acetal
2-octanol
3-octyl acetate
 orange leaf absolute
 peanut oxazole
isopulegol
 spruce needle absolute
 terpinyl propionate
alpha-thujene
 tricyclo(5.2.1.02,6)dec-3-enyl acetate
 valerian absolute
 valerian root oil
 valerian root oil china
 valerian root oil CO2 extract china
(odor and/or flavor) used in :
 chypre
 green
 herbal
 moss
 oriental
 woody
natural occurrence in :
data pageamyris wood oil @ 16.80%
data pageangelica root oil @ 0.49%
data pageangelica seed oil CO2 extract @ 1.50%
data pagebasil flower oil sweet @ 0.06%
data pagebasil leaf oil sweet (ocimum basilicum) @ 0.08%
data pagecajuput oil vietnam @ 0.7%
data pagecallitris columellaris wood oil australia @ 7.50%
data pagecallitris glaucophylla wood oil australia @ 10.00%
data pagecallitris intratropica wood oil australia @ 14.40%
data pagecamel grass oil @ 1.10%
data pagecascarilla bark oil @ 3.03%
data pagecistus oil @ 0.4%
data pagecitronella oil zimbabwe @ 0.49%
data pageclary sage oil greece @ 1.50%
data pageclary sage oil spain @ 0.73%
data pagecurry fruit oil india @ <0.05%
data pagecurry leaf oil india @ 0.20%
data pageeucalyptus globulus bicostata oil @ 0.26%
data pageeucalyptus globulus bud oil @ 0.18%
data pageeucalyptus globulus fruit oil @ 0.84%
data pageeucalyptus globulus maidenii f. muell oil @ 0.12%
data pageeucalyptus globulus oil @ 0.40%
data pageeucalyptus globulus oil burundia @ 1.30%
data pageeucalyptus globulus oil rwanda @ 0.11%
data pageeucalyptus globulus oil zambia @ 0.40%
data pageeucalyptus globulus pseudoglobulus oil @ 8.65%
data pagegeranium leaf oil india @ 0.38%
data pagegeranium petiole oil india @ 0.23%
data pagegeranium stem oil india @ 0.39%
data pageguaiacwood oil @ 0.18%
data pageguava fruit oil reunion @ 0.20%
data pagehelichrysum italicum oil america @ 0.41%
data pagehinoki leaf oil @ 6.54%
data pageho leaf oil @ 0.11%
data pagehyssop oil CO2 extract @ 0.1%
data pagelabdanum leaf oil @ 0.50%
data pagelaurel leaf oil turkey @ 0.10-0.20%
data pagelaurel leaf oil turkey @ 1.10%
data pagelaurel leaf oil turkey @ 2.40%
data pagemanuka var. eximium oil australia @ 13.80%
data pagemanuka var. rotundifolium oil australia @ 7.10%
data pagemayur pankh fruit oil himalaya @ 0.50%
data pagemicrostrobos fitzgeraldii leaf oil australia @ 0.50%
data pageotanthus maritimus (l.) hoffmans oil greece @ 1.10%
data pagepepper oil black india @ trace%
data pagepepper tree berry oil @ 1.01%
data pagephoebe oil brazil @ 6.86%
data pagepimenta leaf oil @ 0.82%
data pagepiper cernum vell. var. cernum yuncker leaf oil brazil @ 1.60%
data pagerue oil cuba @ 0.56%
data pagesage oil reunion @ trace%
data pagesalvia atropatana bunge oil iran @ 0.60%
data pagetansy oil marocco @ 5.10%
data pagevalerian root oil @ 0.6-6.9%
data pageyuzu leaf oil @ 0.15-0.21%



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