eremophilene
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :(3R,5S)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
InChI :InChI=1/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13+,15u/m0/s1
InChIKey :QEBNYNLSCGVZOH-IKCIUXDWBF
SMILES :C[C@H]1CCC=C2C1(C[C@@H](CC2)C(=C)C)C
cas number :10219-75-7
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 : 4.20
molecular weight : 204.3510600
formula :C15 H24
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :

properties :
assay : 90.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 270.00 to 271.00 °C. @ 760.00 mm Hg
logp : 6.29

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 223.00  °F.  TCC  ( 106.11 °C. )

safety references :
EPI System :view
 
 
 (3R,5S)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
chemidplus :10219-75-7
EPA Substance Registry Services :10219-75-7
NLM Chemical Carcinogenesis Research Information System :10219-75-7
NLM Developmental and Reproductive Toxicity :10219-75-7
NLM Env. Mutagen Info. Center :10219-75-7
NLM GENetic TOXicology :10219-75-7

references :
 (3R,5S)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
pubchem :39291547

other :
synonyms :
(3R,5S)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
 eremophilene

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :
data pagebois de rose leaf oil brazil @ 4.50-6.00%
data pagebois de rose oil brazil @ 0.30-0.90%
data pageoregano oil mexico @ 0.34%



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