selina-3,7(11)-diene
 
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IUPAC name :(4aR,8aR)-5,8a-dimethyl-3-propan-2-ylidene-1,2,4,4a,7,8-hexahydronaphthalene
InChI :InChI=1/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h6,14H,5,7-10H2,1-4H3/t14-,15+/m0/s1
InChIKey :WNRBYZQFEBIUGD-LSDHHAIUBH
SMILES :CC1=CCC[C@]2([C@H]1CC(=C(C)C)CC2)C
cas number :6813-21-4
molar refractivity :66.56 ± 0.3 cm3
parachor :530.0 ± 6.0 cm3
index of refraction :1.499 ± 0.02
surface tension :30.0 ± 3.0 dyne/cm
density :0.902 ± 0.06 g/cm3
polarizability :26.38 ± 0.5 10-24cm3
xlogp : 3.90
molecular weight : 204.3510600
formula :C15 H24
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :

properties :
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 269.00 to 270.00 °C. @ 760.00 mm Hg
logp : 6.73

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 222.00  °F.  TCC  ( 105.56 °C. )

safety references :
EPI System :view
 
 
 (4aR,8aR)-5,8a-dimethyl-3-propan-2-ylidene-1,2,4,4a,7,8-hexahydronaphthalene
chemidplus :6813-21-4
EPA Substance Registry Services :6813-21-4
NLM Chemical Carcinogenesis Research Information System :6813-21-4
NLM Developmental and Reproductive Toxicity :6813-21-4
NLM Env. Mutagen Info. Center :6813-21-4
NLM GENetic TOXicology :6813-21-4

references :
 (4aR,8aR)-5,8a-dimethyl-3-propan-2-ylidene-1,2,4,4a,7,8-hexahydronaphthalene
pubchem :10532606
NIST Chemistry WebBook :3978034749

other :
synonyms :
 eudesma-3,7(11)-diene
(4aR,8aR)-2-isopropylidene-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
 selina-3,7(11)-diene
3,7(11)-selinadiene

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :
data pageamyris wood oil @ 3.50%
data pageherniaria incana lam. oil greece @ 0.30%
data pagelime oil distilled mexico @ 0.05%
data pagelime oil distilled peru @ 0.10%
data pagemarsypianthes chamaedrys (vahl) kuntze oil brazil @ 0.40%
data pagesavin oil @ 0.37%



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