myrtenyl isovalerate
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IUPAC name :(7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl 3-methylbutanoate
InChI :InChI=1/C15H24O2/c1-10(2)7-14(16)17-9-11-5-6-12-8-13(11)15(12,3)4/h5,10,12-13H,6-9H2,1-4H3
InChIKey :TVGPYTOYKLZBPA-UHFFFAOYAX
SMILES :CC(C)CC(=O)OCC1=CCC2CC1C2(C)C
cas number :33900-84-4
fl. number :09.900
molar refractivity :68.84 ± 0.3 cm3
parachor :571.3 ± 6.0 cm3
index of refraction :1.479 ± 0.02
surface tension :30.8 ± 3.0 dyne/cm
density :0.975 ± 0.06 g/cm3
polarizability :27.29 ± 0.5 10-24cm3
XlogP : 4.40
molecular weight : 236.3498600 (IUPAC)
formula :C15 H24 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
properties :
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 292.00 to 293.00 °C. @ 760.00 mm Hg
flash point : 206.00  °F.  TCC  ( 96.67 °C. )
logP (o/w) : 4.95
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
 
safety references :
EPI System :view
 
WGK Germany :2
 
 
 
 
(7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl 3-methylbutanoate
chemidplus :33900-84-4
EPA Substance Registry Services :33900-84-4
references :
 
(7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl 3-methylbutanoate
fl. number :09.900
NIST Chemistry WebBook :428707584
pubchem :10544987
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(6,6-dimethyl bicyclo(3.1.1)hept-2-enyl) methyl isopentanoate
(7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl 3-methylbutanoate
 myrtenyl 3-methyl butyrate
 myrtenyl 3-methylbutyrate
laevo-myrtenyl isovalerate
2-pinen-10-yl isovalerate
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 amyl isovalerate
isoamyl valerate
isoamyl isovalerate
para-anisyl isovalerate
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 benzyl valerate
 benzyl isovalerate
 bornyl valerate
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S-sec-butyl thioisovalerate
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isobutyl valerate
isobutyl isovalerate
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para-cresyl valerate
para-cresyl isovalerate
 cyclohexyl valerate
 cyclohexyl isovalerate
 cyclotene isovalerate
 decyl valerate
 decyl isovalerate
 ethyl valerate
 ethyl isovalerate
 eugenyl isovalerate
 furfuryl isovalerate
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 geranyl valerate
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(E)-2-hepten-1-yl isovalerate
 heptyl isovalerate
sec-heptyl isovalerate
 heptyl valerate
(E)-2-hexen-1-yl valerate
(E)-2-hexen-1-yl isovalerate
(Z)-3-hexen-1-yl valerate
(Z)-3-hexen-1-yl isovalerate
 hexyl valerate
 hexyl isovalerate
 linalyl valerate
 linalyl isovalerate
 menthyl valerate
 menthyl isovalerate
 methyl 2-methyl valerate
 methyl 4-methyl valerate
2-methyl butyl isovalerate
4-methyl pentyl isovalerate
 methyl thio isovalerate
 methyl valerate
 methyl isovalerate
 neryl isovalerate
 nonyl isovalerate
 nonyl valerate
 octyl valerate
 octyl isovalerate
 phenethyl isovalerate
2-phenethyl valerate
3-phenyl propyl isovalerate
 phenyl propyl valerate
S-prenyl thioisovalerate
isopropyl thioisovalerate
 propyl valerate
 propyl isovalerate
isopropyl valerate
isopropyl isovalerate
 rhodinyl isovalerate
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 terpinyl valerate
stability :
natural occurrence in :    note
data pagevalerian root oil @ 1.6-10.5% S

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