manoyl oxide
 
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IUPAC name :(3R,4aS,6aR,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene
InChI :InChI=1/C20H34O/c1-7-18(4)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)21-18/h7,15-16H,1,8-14H2,2-6H3/t15-,16+,18+,19-,20+/m1/s1
InChIKey :IGGWKHQYMAJOHK-QVHQYWGIBL
SMILES :CC1(CCC[C@@]2([C@@H]1CC[C@]3([C@H]2CC[C@](O3)(C)C=C)C)C)C
cas number :596-84-9
molar refractivity :91.59 ± 0.3 cm3
parachor :748.9 ± 4.0 cm3
index of refraction :1.505 ± 0.02
surface tension :34.6 ± 3.0 dyne/cm
density :0.941 ± 0.06 g/cm3
polarizability :36.31 ± 0.5 10-24cm3
xlogp : 7.00
molecular weight : 290.4833600
formula :C20 H34 O
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :

properties :
assay : 90.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 338.00 to 339.00 °C. @ 760.00 mm Hg
logp : 7.18

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 311.00  °F.  TCC  ( 155.00 °C. )

safety references :
EPI System :view
 
 
 (3R,4aS,6aR,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene
chemidplus :000596849
EPA Substance Registry Services :596-84-9
NLM Chemical Carcinogenesis Research Information System :596-84-9
NLM Developmental and Reproductive Toxicity :596-84-9
NLM Env. Mutagen Info. Center :596-84-9
NLM GENetic TOXicology :596-84-9

references :
 (3R,4aS,6aR,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene
pubchem :3727543

other :
synonyms :
(13R)-8,13-epoxylabd-14-ene
(3R- (3alpha,4abeta, 6aalpha,10abeta, 10balpha))-3-ethenyl dodecahydro-3,4a,7,7,10a-pentamethyl-1H-naphtho(2,1-b)pyran
 manool oxide
 manoyl oxide
(+)-manoyl oxide

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) used in :
 ambergris

natural occurrence in :
data pagecistus oil @ 0.3%
data pageclary sage oil greece @ 0.10%
data pageclary sage oil spain @ trace%
data pagecypress oil @ 0.12-0.20%
data pagekewda oil @ trace-0.17%
data pagemangrove bark red oil cuba @ 29.90%
data pagesavin oil @ 0.38%
data pagewitch hazel leaf oil @ 0.03%



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