2-phenoxyethyl formate
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Notes :
Cinnamyl alcohol replacer.
 
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IUPAC name :2-(phenoxy)ethyl formate
InChI :InChI=1/C9H10O3/c10-8-11-6-7-12-9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKey :BRKHBMRNJGJJDV-UHFFFAOYAS
SMILES :C1=CC=C(C=C1)OCCOC=O
cas number :58214-97-4
molar refractivity :44.12 ± 0.3 cm3
parachor :372.0 ± 4.0 cm3
index of refraction :1.499 ± 0.02
surface tension :37.7 ± 3.0 dyne/cm
density :1.106 ± 0.06 g/cm3
polarizability :17.49 ± 0.5 10-24cm3
XlogP : 1.70
molecular weight : 166.1739000
formula :C9 H10 O3
 
 
export tariff code :2915.13.0000
fda reg :unspecified

organoleptics :
odor type :balsamic
odor strength :medium
odor description :¹
at 100.00 %.  
balsamic powdery cinnamyl sweet storax cinnamon
odor sample from :Emery Chemicals
substantivity :112  Hour(s)

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.14030 @ 25.00 °C.
boiling point : 260.00 to 262.00 °C. @ 760.00 mm Hg
flash point :> 200.00  °F.  TCC  ( > 93.33 °C. )
logP (o/w) : 1.68

safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for 2-phenoxyethyl formate usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for 2-phenoxyethyl formate usage levels up to :
 not for flavor use.

safety references :
EPI System :view
EPA Chem. Sub. Inventory : Yes
 
 
 
 2-(phenoxy)ethyl formate
chemidplus :058214974
EPA Substance Registry Services :58214-97-4
dtp/nci :404475

references :
 2-(phenoxy)ethyl formate
pubchem :474667

other :
reference : Luebke, William tgsc, (1987)¹
synonyms :
 emeressence 1166 styrate
2-(2-hydroxyethoxy) benzaldehyde
2-(phenoxy)ethyl formate
2-phenoxyethanol formate

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetanisole
para-anisyl acetate
 benzylidene acetone
isobutyl benzoate
 canella bark oil
 cassia bark oil
 cassia concrete
 cassia leaf oil china
 cassia oleoresin
 cinnamaldehyde
 cinnamaldehyde / methyl anthranilate schiff's base
 cinnamaldehyde ethylene glycol acetal
 cinnamic acid
 cinnamon acrolein
 cinnamon bark oil
 cinnamon leaf oil
 cinnamon oleoresin
 cinnamyl acetate
 cinnamyl alcohol
 cinnamyl nitrile
(E)-cinnamyl nitrile
 clover nitrile
 cyperus root oil
isoeugenyl phenyl acetate
 furfural acetone
2-furfurylidene butyraldehyde
(E,E)-2,4-heptadien-1-al
(E)-para-methoxycinnamaldehyde
ortho-methoxycinnamaldehyde
para-methoxycinnamaldehyde
alpha-methyl cinnamaldehyde
para-methyl cinnamaldehyde
 methyl cinnamate
alpha-methyl cinnamic alcohol
 methyl eugenol
 methyl heptadienone
 myrtenal
 peru balsam oil
 phenethyl propionate
 phenoxyethanol
3-phenyl propionaldehyde
3-phenyl propyl acetate
 pimenta leaf oil
 salicyl aldehyde
 storax gum

(odor and/or flavor) used in :
 balsam
 cinnamon
 jasmin
 leather
 lilac lilas syringa
 styrax
 ylang ylang cananga

natural occurrence in :
not found in nature



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