perillene
 
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IUPAC name :3-(4-methylpent-3-enyl)furan
InChI :InChI=1/C10H14O/c1-9(2)4-3-5-10-6-7-11-8-10/h4,6-8H,3,5H2,1-2H3
InChIKey :XNGKCOFXDHYSGR-UHFFFAOYAY
SMILES :CC(=CCCC1=COC=C1)C
cas number :539-52-6
molar refractivity :46.53 ± 0.3 cm3
parachor :380.3 ± 4.0 cm3
index of refraction :1.477 ± 0.02
surface tension :28.5 ± 3.0 dyne/cm
density :0.913 ± 0.06 g/cm3
polarizability :18.44 ± 0.5 10-24cm3
xlogp : 2.70
molecular weight : 150.2175600
formula :C10 H14 O
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :
odor strength :medium
odor description :
at 100.00 %.  
woody

properties :
appearence :colorless clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 185.00 to 186.00 °C. @ 760.00 mm Hg
logp : 4.21

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 133.00  °F.  TCC  ( 56.11 °C. )
recommendation for perillene usage levels up to :
  1.0000 % in the fragrance concentrate.

safety references :
EPI System :view
 
 
 3-(4-methylpent-3-enyl)furan
chemidplus :000539526
EPA Substance Registry Services :539-52-6
NLM Chemical Carcinogenesis Research Information System :539-52-6
NLM Developmental and Reproductive Toxicity :539-52-6
NLM Env. Mutagen Info. Center :539-52-6
NLM GENetic TOXicology :539-52-6

references :
 3-(4-methylpent-3-enyl)furan
pubchem :210439
NIST Chemistry WebBook :255153193

other :
synonyms :
3-(4-methyl-3-pentenyl) furan
 perillene

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :
data pageclary sage oil greece @ 0.10%
data pagelemon verbena oil turkey @ 0.06%
data pagepetitgrain oil @ trace%
data pagepetitgrain sweet oil @ 0.16%



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