ethyl ortho-anisate
 
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IUPAC name :ethyl 2-methoxybenzoate
InChI :InChI=1/C10H12O3/c1-3-13-10(11)8-6-4-5-7-9(8)12-2/h4-7H,3H2,1-2H3
InChIKey :FNODWEPAWIJGPM-UHFFFAOYAZ
SMILES :CCOC(=O)C1=CC=CC=C1OC
(EINECS) number :230-843-1
cas number :7335-26-4
fl. number :09.363
molar refractivity :49.33 ± 0.3 cm3
parachor :408.5 ± 4.0 cm3
index of refraction :1.499 ± 0.02
surface tension :35.1 ± 3.0 dyne/cm
density :1.073 ± 0.06 g/cm3
polarizability :19.55 ± 0.5 10-24cm3
xlogp : 2.30
molecular weight : 180.2004800
formula :C10 H12 O3
 
 
fda reg :unspecified h. number :2915.13.0000
 
organoleptics : 
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
floral ylang tuberose fruity raspberry
substantivity :268  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.10700 - 1.11500 @ 25.00 °C.
pounds per gallon - calc. : 9.211 to 9.278
specific gravity :1.10800 - 1.11600 @ 20.00 °C.
pounds per gallon - calc. : 9.230 to 9.297
refractive index :1.51800 - 1.52300 @ 20.00 °C.
boiling point : 261.00 - 262.00 °C. @ 760.00 mm Hg
logp : 2.40
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) :> 212.00  °F.  TCC  ( > 100.00 °C. )
  
recommendation for ethyl ortho-anisate usage levels up to :
  2.0000 % in the fragrance concentrate.
  
safety links : 
(EINECS) number :230-843-1
chemidplus :007335264
epa-srs :7335-26-4
  
other : 
 
references : 
fl. number :09.363
pubchem :658711
NIST Chemistry WebBook :2719035595
  
synonyms :
 ethyl 2-methoxybenzoate
 ethyl ortho-anisate
 ethyl ortho-methoxybenzoate
 ethyl-2-methoxybenzoate
 ethyl-ortho-anisate
2-methoxybenzoic acid ethyl ester
soluble in :
 alcohol
insoluble in :
 water
stability :
 acid cleaner
 alcoholic lotion
 antiperspirant
 deo stick
 detergent
 fabric softener
 shampoo
 soap
(odor and/or flavor) blends with :
 acetal 318
isoamyl 3-(2-furan) propionate
 amyl angelate
isoamyl angelate
alpha-amyl cinnamaldehyde
 amyl cyclopentenone
para-anisyl propanal
 benzyl acetate
 benzyl acetoacetate
 benzyl cinnamate
 benzyl formate
 benzyl methyl ether
 berry hexanoate
isobutyl isovalerate
 butyl undecylenate
 butyl valerate
 campholene acetate
 chamomile valerate
 clary propyl acetate
 conifer acetate
para-cresyl caprylate
 cyclohexyl ethyl acetate
beta-damascenone
 diethyl succinate
2,4-difurfuryl furan
 dihydro-alpha-ionone
 dimethyl benzyl carbinyl acetate
(E+Z)-4,8-dimethyl-3,7-nonadien-2-one
 geraniol
 geranyl benzoate
 geranyl butyrate
 green methanoindene
 heliotropyl acetone
2-heptanol
 herbal undecanone
 hexoxyacetaldehyde dimethyl acetal
2-hexyl-4-acetoxytetrahydrofuran
 hyacinth ether
beta-ionyl acetate
 jasmin lactone
para-jasmone
 linalyl benzoate
 menthadienyl formate
3-mercaptohexyl acetate
 methoxymelonal
para-methyl anisole
 methyl benzyl acetate (mixed ortho-,meta-,para-)
 methyl cyclogeranate
2-methyl undecanal
 neryl isobutyrate
 octyl propionate
 petitgrain lemon oil
 phenethyl isobutyrate
 phenethyl isovalerate
3-phenyl propyl isovalerate
 prenyl benzoate
 propyl acetate
 prune glycidate
isopulegyl formate
 raspberry ketone
 raspberry ketone acetate
 raspberry ketone methyl ether
 rhubarb pyran
 terpinyl benzoate
4-(para-tolyl)-2-butanone
 tuberolide
 tuberose absolute
 tuberose absolute concrete
 tuberose acetate
 wallflower absolute
(odor and/or flavor) used in :
 floral
 fruit
 raspberry
 tuberose tubereuse
 ylang ylang cananga
natural occurrence in :
found in nature



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