(Z)-verbenol
 
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IUPAC name :(1R,2R,5R)-4,7,7-trimethylbicyclo[3.1.1]hept-3-en-2-ol
InChI :InChI=1/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8+,9+/m0/s1
InChIKey :WONIGEXYPVIKFS-DJLDLDEBBG
SMILES :CC1=C[C@H]([C@@H]2C[C@H]1C2(C)C)O
cas number :1845-30-3
molar refractivity :45.55 ± 0.3 cm3
parachor :362.5 ± 6.0 cm3
index of refraction :1.511 ± 0.02
surface tension :32.4 ± 3.0 dyne/cm
density :1.002 ± 0.06 g/cm3
polarizability :18.05 ± 0.5 10-24cm3
xlogp : 2.10
molecular weight : 152.2334400
formula :C10 H16 O
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :

properties :
appearence :white crystals
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 70.00 to 72.00 °C. @ 760.00 mm Hg
boiling point : 214.00 to 215.00 °C. @ 760.00 mm Hg
boiling point : 89.00 to 91.00 °C. @ 10.00 mm Hg
logp : 2.46

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 184.00  °F.  TCC  ( 84.44 °C. )

safety references :
EPI System :view
 
 
 (1R,2R,5R)-4,7,7-trimethylbicyclo[3.1.1]hept-3-en-2-ol
chemidplus :001845303
EPA Substance Registry Services :1845-30-3
NLM Chemical Carcinogenesis Research Information System :1845-30-3
NLM Developmental and Reproductive Toxicity :1845-30-3
NLM Env. Mutagen Info. Center :1845-30-3
NLM GENetic TOXicology :1845-30-3

references :
 (1R,2R,5R)-4,7,7-trimethylbicyclo[3.1.1]hept-3-en-2-ol
pubchem :742362
NIST Chemistry WebBook :4140459037

other :
synonyms :
(1alpha,2beta,5alpha)-4,6,6-trimethyl bicyclo(3.1.1)hept-3-en-2-ol
(1R,2R,5R)-rel-4,6,6-trimethyl bicyclo(3.1.1)hept-3-en-2-ol
(Z)-verbenol
cis-verbenol

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :
data pageboldo leaf oil italy @ trace%
data pageboldus leaf oil chile @ 9.90%
data pagelayana oil kenya @ trace%
data pagemarjoram oil spain @ 0.10%
data pagesage oil england @ 0.70%



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