beta-santalene
 
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IUPAC name :6-methyl-5-methylidene-6-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane
InChI :InChI=1/C15H24/c1-11(2)6-5-9-15(4)12(3)13-7-8-14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3
InChIKey :PGBNIHXXFQBCPU-UHFFFAOYAW
SMILES :CC(=CCCC1(C2CCC(C2)C1=C)C)C
(EINECS) number :208-130-1
cas number :511-59-1
molar refractivity :66.59 ± 0.4 cm3
parachor :533.3 ± 6.0 cm3
index of refraction :1.494 ± 0.03
surface tension :29.7 ± 5.0 dyne/cm
density :0.89 ± 0.1 g/cm3
polarizability :26.40 ± 0.5 10-24cm3
xlogp : 4.30
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 : 259.00 to 260.00 °C. @ 760.00 mm Hg
logp : 6.54

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 213.00  °F.  TCC  ( 100.56 °C. )

safety references :
EPI System :view
 
 
 6-methyl-5-methylidene-6-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane
(EINECS) number :208-130-1
chemidplus :000511591
EPA Substance Registry Services :511-59-1
NLM Chemical Carcinogenesis Research Information System :511-59-1
NLM Developmental and Reproductive Toxicity :511-59-1
NLM Env. Mutagen Info. Center :511-59-1
NLM GENetic TOXicology :511-59-1

references :
 6-methyl-5-methylidene-6-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane
pubchem :153820
NIST Chemistry WebBook :704267865

other :
synonyms :
(1S-exo)-2-methyl-3-methylene-2-(4-methyl-3-pentenyl) bicyclo(2.2.1)heptane
(1S,2R,4R)-2-methyl-3-methylene-2-(4-methyl-3-pentenyl) bicyclo(2.2.1)heptane
beta-santala-3(15),10-diene
beta-santalene

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :
data pagecarrot seed oil @ 0.67%
data pagegalangal root oil @ 0.48%
data pagelavandin oil abrialis @ trace%
data pagelemon oil california @ 0.01%
data pagelime oil distilled mexico @ 0.04%
data pagelime oil distilled peru @ 0.04%
data pagelime oil expressed florida @ trace%
data pagesandalwood oil east indian @ 1.40%
data pagesugandha kokila berry oil @ 0.80%
data pagewitch hazel leaf oil @ 0.03%



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