alpha-longipinene
 
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IUPAC name :2,6,6,9-tetramethyltricyclo[5.4.0.02,8]undec-9-ene
InChI :InChI=1/C15H24/c1-10-6-7-11-13-12(10)15(11,4)9-5-8-14(13,2)3/h6,11-13H,5,7-9H2,1-4H3
InChIKey :HICYDYJTCDBHMZ-UHFFFAOYAH
SMILES :CC1=CCC2C3C1C2(CCCC3(C)C)C
cas number :5989-08-2
molar refractivity :65.07 ± 0.3 cm3
parachor :512.6 ± 6.0 cm3
index of refraction :1.498 ± 0.02
surface tension :28.6 ± 3.0 dyne/cm
density :0.922 ± 0.06 g/cm3
polarizability :25.79 ± 0.5 10-24cm3
xlogp : 4.90
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 : 251.00 to 252.00 °C. @ 760.00 mm Hg
logp : 6.40

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 216.00  °F.  TCC  ( 102.22 °C. )

safety references :
EPI System :view
 
 
 2,6,6,9-tetramethyltricyclo[5.4.0.02,8]undec-9-ene
chemidplus :5989-08-2
EPA Substance Registry Services :5989-08-2
NLM Chemical Carcinogenesis Research Information System :5989-08-2
NLM Developmental and Reproductive Toxicity :5989-08-2
NLM Env. Mutagen Info. Center :5989-08-2
NLM GENetic TOXicology :5989-08-2

references :
 2,6,6,9-tetramethyltricyclo[5.4.0.02,8]undec-9-ene
pubchem :10529025
NIST Chemistry WebBook :4214073968

other :
synonyms :
(+)-alpha-longipinene
alpha-longipinene
2,6,6,9-tetramethyl tricyclo(5.4.0.0(2,8))undec-9-ene
3,3,7,9-tetramethyl tricyclo(5.4.0.0(2,8))undec-9-ene

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :
data pagecedarwood oil lebanon @ 0.10%
data pagehinoki leaf oil @ 0.37%
data pagehinoki root oil @ 0.48%
data pagehinoki wood oil @ 0.10%



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