terpinyl valerate
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IUPAC name :2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl pentanoate
InChI :InChI=1/C15H26O2/c1-5-6-7-14(16)17-15(3,4)13-10-8-12(2)9-11-13/h8,13H,5-7,9-11H2,1-4H3
InChIKey :GIHNOWFSKYCHNL-UHFFFAOYAJ
SMILES :CCCCC(=O)OC(C)(C)C1CCC(=CC1)C
cas number :14481-55-1
(EINECS) number :238-477-4
coe number :473
molar refractivity :70.47 ± 0.3 cm3
parachor :604.9 ± 6.0 cm3
index of refraction :1.468 ± 0.02
surface tension :32.4 ± 3.0 dyne/cm
density :0.940 ± 0.06 g/cm3
polarizability :27.94 ± 0.5 10-24cm3
XlogP : 4.50
molecular weight : 238.3657400 (IUPAC)
formula :C15 H26 O2
NMR Predictor :Predict
 
 
export tariff code :2915.60.0000
fda reg :unspecified
organoleptics :
odor type :floral
odor strength :medium
odor description:
at 100.00 %.  		fruity floral
taste description:
apple bitter sweet
properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.94200 @ 25.00 °C.
boiling point : 295.00 to 296.00 °C. @ 760.00 mm Hg
flash point : 195.00  °F.  TCC  ( 90.56 °C. )
logP (o/w) : 5.27
safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
 
recommendation for terpinyl valerate fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
safety references :
EPI System :view
 
WGK Germany :2
 
 
 
 
2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl pentanoate
(EINECS) number :238-477-4
chemidplus :014481551
EPA Substance Registry Services :14481-55-1
references :
 
2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl pentanoate
NIST Chemistry WebBook :4185904875
pubchem :662604
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
para-menth-1-en-8-yl pentanoate
1-methyl-1-(4-methyl cyclohex-3-enyl) ethyl valerate
2-(4-methyl-1-cyclohex-3-enyl) propan-2-yl pentanoate
2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl pentanoate
 terpinyl valerianate
 valeric acid para-menth-1-en-8-yl ester
Similar Products:    note
 allyl valerate
 allyl isovalerate
 amyl valerate
 amyl isovalerate
isoamyl valerate
isoamyl isovalerate
para-anisyl isovalerate
para-anisyl valerate
 benzyl valerate
 benzyl isovalerate
 bornyl valerate
 bornyl isovalerate
(-)-bornyl isovalerate
isobornyl isovalerate
S-sec-butyl thioisovalerate
 butyl valerate
 butyl isovalerate
isobutyl valerate
isobutyl isovalerate
 carvyl isovalerate
 cinnamyl valerate
 cinnamyl isovalerate
 citronellyl valerate
 citronellyl isovalerate
para-cresyl valerate
para-cresyl isovalerate
 cyclohexyl valerate
 cyclohexyl isovalerate
 cyclotene isovalerate
 decyl valerate
 decyl isovalerate
 ethyl valerate
 ethyl isovalerate
 eugenyl isovalerate
 furfuryl isovalerate
 furfuryl valerate
 geranyl valerate
 geranyl isovalerate
(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
 myrtenyl 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
 terpinyl isovalerate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetal 318FR
1-acetyl cyclohexyl acetateFL
 amyl 2-methyl butyrateFL/FR
isoamyl 3-(2-furan) propionateFL/FR
 amyl angelateFL
isoamyl angelateFL/FR
alpha-amyl cinnamaldehydeFL/FR
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
isoamyl valerateFL/FR
para-anisyl formateFL/FR
 apple ketalFL/FR
 benzaldehyde / methyl anthranilate schiff's baseFR
 benzyl acetateFL/FR
 benzyl acetoacetateFL/FR
 benzyl cinnamateFL/FR
 benzyl formateFL/FR
 benzyl isovalerateFL/FR
 benzyl propionateFL/FR
 berry hexanoateFR
isobutyl anthranilateFL/FR
isobutyl furyl propionateFL/FR
 butyl heptanoateFL/FR
 butyl isovalerateFL/FR
isobutyl isovalerateFL/FR
2-butyl thiopheneFL
 butyl undecylenateFL/FR
 chamomile isobutyrateFR
 chamomile propionateFR
 chamomile valerateFR
 cinnamyl formateFL/FR
 citronellyl butyrateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl isobutyrateFL/FR
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
 clary propyl acetateFR
 cyclohexyl butyrateFL/FR
 cyclohexyl isovalerateFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
alpha-damasconeFL/FR
beta-damasconeFL/FR
gamma-damasconeFR
2-decalinyl acetateFR
3-decen-2-oneFL/FR
 diethyl 1-malateFL
2,4-difurfuryl furanFL
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
S-(2,5-dimethyl-3-furyl) ethane thioateFL
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL
 ethyl 2-furoateFL
 ethyl decanoateFL/FR
 ethyl isovalerateFL/FR
 ethyl levulinateFL/FR
4-ethyl octanoic acidFL/FR
 ethyl valerateFL/FR
 fruity ketalFL/FR
 geraniolFL/FR
 geranyl isovalerateFL/FR
 geranyl methyl ethyl acetateFL/FR
2-heptanolFL/FR
 heptyl 2-methyl butyrateFL
 heptyl isobutyrateFL/FR
(Z)-3-hexen-1-al diethyl acetalFL/FR
(E)-2-hexen-1-al dimethyl acetalFL
(Z)-3-hexen-1-al dimethyl acetal 
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL
(Z)-3-hexen-1-yl valerateFL/FR
 hexoxyacetaldehyde dimethyl acetalFR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl formateFL/FR
 hexyl isobutyrateFL/FR
2-hexyl-4-acetoxytetrahydrofuranFL
 marine formateFR
 menthadienyl formateFR
3-mercaptohexyl acetateFL
ortho-methoxybenzyl ethyl etherFR
 methoxymelonalFR
 methyl (Z)-3-hexenoateFL/FR
 methyl 4-phenyl butyrateFL
 methyl alpha-iononeFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
 methyl butyrateFL
 methyl citronellateFL/FR
 methyl cyclogeranateFR
 methyl decanoateFL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
 methyl isobutyrateFL/FR
 methyl isovalerateFL/FR
 methyl valerateFL/FR
(E)-7-methyl-3-octen-2-oneFL
3-nonanon-1-yl acetateFL/FR
 nonyl isovalerateFL/FR
 orris root concreteFL/FR
(E)-2-penten-1-alFL/FR
 petitgrain lemon oilFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
4-phenyl-3-buten-2-olFL/FR
2-phenyl-4-pentenalFL
isoprenyl acetateFL/FR
isopropyl benzoateFL/FR
 propyl heptanoateFL/FR
 propyl isovalerateFL/FR
isopropyl isovalerateFL/FR
 rhubarb pyranFR
 rose undeceneFR
 star fruit oil cubaFL/FR
 tetrahydroionyl acetateFR
4-(para-tolyl)-2-butanoneFL/FR
 tropical iononeFL/FR
potential uses :
 apple
 apricot
 banana
 cypress
 gooseberry
 grape
 pineapple
 plum
 raspberry
 strawberry
 tobacco tabac tabaco
 woodruff asperula
natural occurrence in :    note
 cypress oil S

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