(E)-2-tridecen-1-yl acetate
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IUPAC name :[(E)-tridec-2-enyl] acetate
InChI :InChI=1/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h12-13H,3-11,14H2,1-2H3/b13-12+
InChIKey :UEGGJCHDRZTQMF-OUKQBFOZBU
SMILES :CCCCCCCCCC\C=C\COC(=O)C
cas number :68480-26-2
% from :91.00% to 99.90%
(EINECS) number :270-903-4
molar refractivity :73.37 ± 0.3 cm3
parachor :640.8 ± 4.0 cm3
index of refraction :1.449 ± 0.02
surface tension :30.2 ± 3.0 dyne/cm
density :0.879 ± 0.06 g/cm3
polarizability :29.08 ± 0.5 10-24cm3
XlogP : 6.40
molecular weight : 240.3816200
formula :C15 H28 O2
NMR Predictor :Predict
 
 
IUPAC name :[(Z)-tridec-2-enyl] acetate
InChI :InChI=1/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h12-13H,3-11,14H2,1-2H3/b13-12-
InChIKey :UEGGJCHDRZTQMF-SEYXRHQNBJ
SMILES :CC(=O)OC/C=C\CCCCCCCCCC
cas number :68480-26-2  (Z)
% from :0.10% to 3.00%
molar refractivity :73.37 ± 0.3 cm3
parachor :640.8 ± 4.0 cm3
index of refraction :1.449 ± 0.02
surface tension :30.2 ± 3.0 dyne/cm
density :0.879 ± 0.06 g/cm3
polarizability :29.08 ± 0.5 10-24cm3
XlogP : 6.40
molecular weight : 240.3816200
formula :C15 H28 O2
NMR Predictor :Predict
 
 
export tariff code :2915.39.9050
fda reg :unspecified
organoleptics :
odor type :waxy
odor strength :medium
odor description :
at 100.00 %.  		waxy fruit pear apple
properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.86700 to 0.87700 @ 25.00 °C.
pounds per gallon - calc. : 7.214 to 7.298
refractive index :1.43900 to 1.44900 @ 20.00 °C.
boiling point : 115.00 °C. @ 2.00 mm Hg
boiling point : 309.00 to 310.00 °C. @ 760.00 mm Hg
flash point : 230.00  °F.  TCC  ( 110.00 °C. )
logP (o/w) : 6.30
safety :
most important hazard(s) : Xi - Irritant
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for (E)-2-tridecen-1-yl acetate usage levels up to :
  2.0000 % in the fragrance concentrate.
safety references :
EPI System :view
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 [(E)-tridec-2-enyl] acetate
(EINECS) number :270-903-4
chemidplus :068480262
EPA Substance Registry Services :68480-26-2
 [(Z)-tridec-2-enyl] acetate
references :
 [(E)-tridec-2-enyl] acetate
pubchem :687632
 [(Z)-tridec-2-enyl] acetate
other :
synonyms :
 tridec-2-en-1-yl acetate
[(E)-tridec-2-enyl] acetate
trans-2-tridecen-1-yl acetate
(E)-2-tridecenyl acetate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 acetaldehyde methyl hexyl acetal
 allyl heptanoate
 allyl nonanoate
 allyl octanoate
 amyl 2-methyl butyrate
isoamyl butyrate
 amyl hexanoate
 amyl isobutyrate
isoamyl isobutyrate
 amyl isovalerate
isoamyl valerate
 apple crotonate
 apple ketal
 benzyl isovalerate
 benzyl propionate
 butyl heptanoate
 butyl isovalerate
isobutyl isovalerate
(E)-carveol
laevo-carveol
laevo-carvone
(Z)-carvone-5,6-oxide
 carvyl acetate
 cyclohexyl butyrate
 cyclohexyl isovalerate
alpha-damascone
gamma-damascone
3-decanone
(Z)-4-decen-1-ol
3-decen-2-one
 decyl butyrate
 diethyl 1-malate
 dihydrocarveol
dextro-dihydrocarvone
 dill seed oil
(E,E)-2,4-dodecadien-1-ol
 ethyl (E,Z)-2,4-decadienoate
 ethyl (E)-2-decenoate
 ethyl (E)-4-decenoate
 ethyl (E)-4-octenoate
 ethyl (Z)-3-hexenoate
 ethyl 2-cyclohexyl propionate
 ethyl cyclohexane propionate
 ethyl decanoate
 ethyl isovalerate
 ethyl octanoate
 ethyl palmitate
 ethyl undecylenate
 ethyl valerate
 fruity ketal
1-furfuryl pyrrole
(E)-geranyl acetone
 geranyl hexanoate
 geranyl isovalerate
 geranyl methyl ethyl acetate
 heptyl 2-methyl butyrate
 heptyl acetate
 hexanal diethyl acetal
3-hexanone
(Z)-3-hexen-1-al diethyl acetal
(E)-2-hexen-1-al dimethyl acetal
(Z)-3-hexen-1-al dimethyl acetal
(Z)-3-hexen-1-yl (Z)-3-hexenoate
(Z)-3-hexen-1-yl 2-methyl-2-pentenoate
(E)-2-hexen-1-yl acetate
(E)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl acetate
(E)-2-hexen-1-yl butyrate
2-hexen-1-yl cyclopentanyl acetate
(Z)-3-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl isobutyrate
(E)-2-hexen-1-yl isovalerate
(E)-2-hexen-1-yl propionate
(Z)-3-hexen-1-yl propionate
(E)-2-hexen-1-yl valerate
(Z)-3-hexen-1-yl valerate
 hexyl 2-butenoate
 hexyl 2-furoate
 hexyl 2-methyl butyrate
 hexyl butyrate
 hexyl formate
 hexyl isobutyrate
 hexyl phenyl acetate
 hexyl propionate
 jasmin absolute
 linalyl hexanoate
 marine formate
 melon nonenoate
 melon octenoate
(Z+E)-para-1(7)8-menthadien-2-yl acetate
3-mercaptohexyl acetate
 methyl (E)-3-nonenoate
 methyl (E)-3-nonenoate
 methyl 2-undecynoate
 methyl 2,4-decadienoate
 methyl butyl phenyl acetate
 methyl butyrate
 methyl citronellate
 methyl isovalerate
 methyl nonanoate
 methyl octenoate
 methyl undecanoate
 methyl valerate
 mint lactone
 musk propanoate
 nerolidyl isobutyrate
(E,Z)-3,6-nonadien-1-yl acetate
3,6-nonadien-1-yl acetate
(E)-2-nonen-1-yl acetate
(Z)-6-nonen-1-yl acetate
 nonyl isovalerate
(E,E)-2,4-octadien-1-al
2,4-octadien-1-al
(E)-2-octen-1-yl acetate
(E)-2-octen-1-yl butyrate
(Z)-3-octen-1-yl propionate
 octyl 2-methyl butyrate
 octyl butyrate
 pear valerate
(E)-2-penten-1-al
 phytyl acetate
 propyl 2,4-decadienoate
 propyl acetate
 propyl heptanoate
isopropyl isobutyrate
 propyl isovalerate
isopropyl isovalerate
 sorbyl isobutyrate
 spearmint absolute
 spearmint oil
 spearmint oil terpeneless
 tetrahydrocarvone
2-undecanone
(odor and/or flavor) used in :
 apple
 fruit
 passion fruit
 pear
 waxy
natural occurrence in :
not found in nature



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