terpinyl butyrate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl butanoate
InChI :InChI=1/C14H24O2/c1-5-6-13(15)16-14(3,4)12-9-7-11(2)8-10-12/h7,12H,5-6,8-10H2,1-4H3
InChIKey :LWKWNIYBQLKBMQ-UHFFFAOYAM
SMILES :CCCC(=O)OC(C)(C)C1CCC(=CC1)C
(EINECS) number :218-445-6
cas number :2153-28-8
fema number :3049
coe number :278
jecfa number :370
fl. number :09.052
molar refractivity :65.84 ± 0.3 cm3
parachor :564.8 ± 6.0 cm3
index of refraction :1.467 ± 0.02
surface tension :32.2 ± 3.0 dyne/cm
density :0.946 ± 0.06 g/cm3
polarizability :26.10 ± 0.5 10-24cm3
xlogp : 3.90
molecular weight : 224.3391600
formula :C14 H24 O2
 
 
fda reg :unspecified h. number :2915.60.0000
 
organoleptics : 
odor type :balsamic
odor strength :medium
odor description :
at 100.00 %.  
sour rosemary fruity balsam
properties : 
appearence :colorless to pale yellow clear liquid
assay : 95.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.93800 @ 25.00 °C.
refractive index :1.46500 @ 20.00 °C.
boiling point : 224.00 °C. @ 760.00 mm Hg
logp : 4.73
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) :> 212.00  °F.  TCC  ( > 100.00 °C. )
  
recommendation for terpinyl butyrate usage levels up to :
  8.0000 % in the fragrance concentrate.
  
recommendation for terpinyl butyrate usage levels up to :
  210.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :218-445-6
chemidplus :002153288
epa-srs :2153-28-8
  
other : 
 
references : 
jecfa number :370
fl. number :09.052
pubchem :203829
NIST Chemistry WebBook :1270937583
  
synonyms :
 butanoic acid 1-methyl-1-(4-methyl-3-cyclohexen-1-yl) ethyl ester
 butyric acid para-menth-1-en-8-yl ester
para-menth-1-en-8-ol butyrate
para-menth-1-en-8-yl butyrate
 methyl methyl cyclohexenyl ethyl butyrate
1-methyl-1-(4-methyl-3-cyclohexen-1-yl) ethyl butyrate
 terpinyl butyrate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
alpha-amyl cinnamaldehyde
alpha-amyl cinnamyl acetate
 amyl furoate
isoamyl heptanoate
para-anisyl propionate
 benzyl acetone
 benzyl methyl tiglate
 butyl benzoate
isobutyl cinnamate
 butyl heptanoate
isobutyl heptanoate
 butyl levulinate
isobutyl methyl ketone
 butyl tiglate
 cassis methanol
 chamomile propionate
 chamomile valerate
 cinnamyl anthranilate
 cinnamyl butyrate
(E)-cinnamyl butyrate
 cinnamyl formate
 cinnamyl propionate
 cuminyl acetate
 diethyl malate
 dimethyl benzyl carbinyl butyrate
 ethyl 4-pentenoate
 ethyl cinnamate
 geranyl tiglate
(E)-2-hexenoic acid
 hexyl cinnamate
 hexyl tiglate
 jasmin absolute
 linalyl octanoate
para-menth-1-ene-9-ol
 menthadienyl formate
1-para-menthen-9-yl acetate
 menthone-8-thioacetate
 methyl benzyl acetate (mixed ortho-,meta-,para-)
2-methyl butyl isovalerate
 methyl hexyl ether
 myrtenyl acetate
 nonan-3-yl acetate
3-nonanone
3-octanon-1-ol
 octyl benzoate
 orris capronate
beta-sesquiphellandrene
3-phenyl propyl isobutyrate
 phenyl salicylate
 prenyl benzoate
 propyl 2-furan acrylate
 rose undecene
 rue flower oil colombia
 rue oil
 santalyl butyrate
 spathulenol
 spicy acetoacetate
 tagete flower oil rwanda
 tagete oil
 tagete oil CO2 extract
 tricyclodecenyl propionate
 viridiflorol
(odor and/or flavor) used in :
 apricot
 balsam
 banana
 bergamot
 cherry
 chocolate cocoa
 cranberry
 currant
 cypress
 gooseberry
 gorse
 heather
 melon watermelon muskmelon cantaloupe
 niaouli
 orchid
 outdoors fresh outdoors
 peach
 pine
 plum
 plum greengage plum
 tweed
 woodruff asperula
natural occurrence in :
cypress
niaouli



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Html Last modified 09/29/2008