beta-cedrene
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IUPAC name :(3R-(3alpha, 3abeta,7beta,8aalpha))-octahydro-3,8,8-trimethyl-6-methylene-1H-3a,7-methanoazulene
InChI :InChI=1/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h11-13H,1,5-9H2,2-4H3
InChIKey :DYLPEFGBWGEFBB-UHFFFAOYAR
SMILES :CC1CCC2C13CCC(=C)C(C3)C2(C)C
cas number :546-28-1
(EINECS) number :208-898-8
beilstein number :2244722
fl. number :01.067
molar refractivity :64.85 ± 0.4 cm3
parachor :514.2 ± 6.0 cm3
index of refraction :1.508 ± 0.03
surface tension :31.2 ± 5.0 dyne/cm
density :0.93 ± 0.1 g/cm3
polarizability :25.71 ± 0.5 10-24cm3
XlogP : 5.00
XlogP3-AA : 4.90
molecular weight : 204.3510600 (IUPAC)
formula :C15 H24
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Nanjing :beta-cedrene
orders in chinese only.
Sigma-Aldrich-Aldrich :(+)-ß-Cedrene
purum, ≥95.0% (sum of enantiomers, GC)
If you get a cover box over Sigma-aldrich web page, click here to set your country of origin.
organoleptics :
properties :
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 263.00 to 264.00 °C. @ 760.00 mm Hg
flash point : 230.00  °F.  TCC  ( 110.00 °C. )
logP (o/w) : 6.37
shelf life : 6.00 month(s) or longer if stored properly.
storage :refrigerate in tightly sealed containers.
safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
 
recommendation for beta-cedrene fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
(3R-(3alpha, 3abeta,7beta,8aalpha))-octahydro-3,8,8-trimethyl-6-methylene-1H-3a,7-methanoazulene
(EINECS) number :208-898-8
chemidplus :000546281
EPA Substance Registry Services :546-28-1
references :
 
(3R-(3alpha, 3abeta,7beta,8aalpha))-octahydro-3,8,8-trimethyl-6-methylene-1H-3a,7-methanoazulene
fl. number :01.067
NIST Chemistry WebBook :1108572082
pubchem :679887
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 cedr-8(15)-ene
(+)-beta-cedrene
(1S,2R,5S)-8-methylene-2,6,6-trimethyl tricyclo(5.3.1.01.5)undecane
(3R-(3alpha, 3abeta,7beta,8aalpha))-octahydro-3,8,8-trimethyl-6-methylene-1H-3a,7-methanoazulene
soluble in :
 alcohol
insoluble in :
 water
natural occurrence in :    note
data pageangelica seed oil CO2 extract @ trace% S
data pagecedarwood oil atlanta @ 5.00% S
data pagecedarwood oil china @ 9.20% S
data pagecedarwood oil texas @ 5.50% S
data pagecedarwood oil virginia @ 8.20% S
data pageguava leaf oil cuba @ trace% S
data pagemarsypianthes chamaedrys (vahl) kuntze oil brazil @ 0.20% S
data pageprangos uloptera dc. oil iran @ 1.00% S
data pageprangos uloptera dc. seed oil iran @ 4.00% S
data pagesideritis montana l. oil bulgaria @ 0.50% S
data pagesideritis scardica l. oil bulgaria @ 1.50% S
data pageylang ylang oil I (cananga odorata hook. f. and thomas.) @ 0.20% S
data pageylang ylang oil II (cananga odorata hook. f. and thomas.) @ 0.37% S
data pageylang ylang oil III @ 0.46% S

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