verbenyl acetate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :(4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enyl) acetate
InChI :InChI=1/C12H18O2/c1-7-5-11(14-8(2)13)10-6-9(7)12(10,3)4/h5,9-11H,6H2,1-4H3
InChIKey :OZBFUQLOVFXDNK-UHFFFAOYAA
SMILES :CC1=CC(C2CC1C2(C)C)OC(=O)C
(EINECS) number :251-559-4
cas number :33522-69-9
molar refractivity :54.99 ± 0.3 cm3
parachor :451.1 ± 6.0 cm3
index of refraction :1.496 ± 0.03
surface tension :33.0 ± 6.0 dyne/cm
density :1.03 ± 0.1 g/cm3
polarizability :21.80 ± 0.5 10-24cm3
xlogp : 2.90
molecular weight : 194.2701200
formula :C12 H18 O2
 
 
export tariff code :unspecified
fda reg :unspecified
 
organoleptics :
properties :
Food Chemicals Codex Listed :No
boiling point : 232.00 to 233.00 °C. @ 760.00 mm Hg
logp : 3.38
safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 185.00  °F.  TCC  ( 85.00 °C. )
safety references :
EPI System :view
 
 
 (4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enyl) acetate
(EINECS) number :251-559-4
chemidplus :033522699
EPA Substance Registry Services :33522-69-9
NLM Chemical Carcinogenesis Research Information System :33522-69-9
NLM Developmental and Reproductive Toxicity :33522-69-9
NLM Env. Mutagen Info. Center :33522-69-9
NLM GENetic TOXicology :33522-69-9
references :
 (4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enyl) acetate
pubchem :694799
NIST Chemistry WebBook :4278719515
other :
synonyms :
4,6,6-trimethyl bicyclo(3.1.1)hept-3-en-2-yl acetate
 verbenyl acetate
natural occurrence in :
data pageangelica root oil @ 0.39%



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