(E)-2-undecen-1-yl acetate
 
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IUPAC name :[(E)-undec-2-enyl] acetate
InChI :InChI=1/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-15-13(2)14/h10-11H,3-9,12H2,1-2H3/b11-10+
InChIKey :WITKTXDMHHYCJB-ZHACJKMWBP
SMILES :CCCCCCCC\C=C\COC(=O)C
(EINECS) number :270-905-5
cas number :68480-27-3
molar refractivity :64.10 ± 0.3 cm3
parachor :561.2 ± 4.0 cm3
index of refraction :1.446 ± 0.02
surface tension :29.8 ± 3.0 dyne/cm
density :0.883 ± 0.06 g/cm3
polarizability :25.41 ± 0.5 10-24cm3
xlogp : 5.30
molecular weight : 212.3284600
formula :C13 H24 O2
 
 
export tariff code :2915.39.9050
fda reg :unspecified
 
 

organoleptics :
odor type :waxy
odor strength :medium
odor description :
at 100.00 %.  
fresh waxy rose

properties :
appearence :colorless clear liquid
assay : 96.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.87100 - 0.88100 @ 25.00 °C.
pounds per gallon - calc. : 7.248 to 7.331
refractive index :1.43600 - 1.44600 @ 20.00 °C.
boiling point : 274.00 - 275.00 °C. @ 760.00 mm Hg
logp : 5.24

safety :
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 230.00  °F.  TCC  ( 110.00 °C. )
  
recommendation for (E)-2-undecen-1-yl acetate usage levels up to :
  2.0000 % in the fragrance concentrate.
  

safety links :
(EINECS) number :270-905-5
chemidplus :068480273
epa-srs :68480-27-3
  

other :
 

references :
pubchem :687633
NIST Chemistry WebBook :3906601314
  
synonyms :
(E)-undec-2-enyl acetate
(E)-2-undecen-1-ol acetate
(E)-2-undecen-1-yl acetate
trans-2-undecen-1-yl acetate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 allyl amyl glycolate
 allyl cyclohexyl propionate
alpha-amyl cinnamaldehyde
isoamyl phenyl acetate
isoamyl salicylate
 amyris wood oil
 animal carbolactone
para-anisaldehyde
para-anisyl alcohol
 beeswax absolute
 benzoin resinoid
 benzophenone
 benzyl acetate
 benzyl cinnamate
 benzyl isoeugenol
 benzyl propionate
 benzyl salicylate
 blood orange oil
 bois de rose oil
isobutyl cinnamate
 caramel furanone
 carnation absolute
 cassia bark oil
 cedarwood oils
 cinnamyl alcohol
 citronellol
 citronellyl acetate
 clary sage oil
 clove bud oil
 clover nitrile
 coriander seed oil
 costus valerolactone
 coumarin
 currant bud absolute black
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
 davana oil
9-decen-1-ol
 dihydrojasmone
 dimethyl anthranilate
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl butyrate
 dimethyl benzyl carbinyl isobutyrate
 ethyl cinnamate
 ethyl laurate
 ethyl maltol
 ethyl vanillin
isoeugenyl acetate
 fir balsam absolute
 floral pyranol
 gardenia oxide
 geraniol
 geranyl acetate
 grapefruit pentanol
 green acetate
 heliotropin
 heliotropyl acetone
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl salicylate
alpha-hexyl cinnamaldehyde
 ho leaf oil
 hyacinth ether
 hydroxycitronellal
 indole
 ionones
 labdanum resinoid
 leerall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 melon nonenoate
 methyl anthranilate
 methyl cedryl ketone
alpha-methyl cinnamaldehyde
 methyl cinnamate
 methyl dihydrojasmonate
 methyl ionones
 methyl isoeugenol
 muguet carboxaldehyde
 muguet octadienol
 musks
beta-naphthyl ethyl ether
 nerol
 nerolidol
 neryl acetate
 nonanal
 ocean propanal
 orange oil
 orris pyridine
 patchouli ethanone
 peony alcohol
 phenethyl acetate
 phenethyl alcohol
 phenethyl isobutyrate
 phenethyl propionate
 phenethyl salicylate
 phenyl acetaldehyde dimethyl acetal
3-phenyl propionaldehyde
3-phenyl propyl alcohol
 raspberry ketone
 raspberry ketone acetate
 raspberry ketone methyl ether
 rhodinol
 rose butanoate
 rose oxides
 santall
 strawberry furanone
 strawberry glycidate 1
alpha-terpineol
 tetrahydrolinalool
 tobacco dodecane
 tonka bean absolute
gamma-undecalactone
 vanilla absolute
 vanillyl acetate
 violet methyl carbonate
 watermelon ketone
 woody acetate
 woody amylene
 ylang ylang oil
(odor and/or flavor) used in :
 fresh
 rose
 violet
 waxy
natural occurrence in :
not found in nature



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