butyl formate
 
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IUPAC name :butyl formate
InChI :InChI=1/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3
InChIKey :NMJJFJNHVMGPGM-UHFFFAOYAQ
SMILES :CCCCOC=O
(EINECS) number :209-772-5
eu annex :607-017-00-8
cas number :592-84-7
beilstein number :1742108
fema number :2196
coe number :501
jecfa number :118
fl. number :09.163
molar refractivity :27.14 ± 0.3 cm3
parachor :259.6 ± 4.0 cm3
index of refraction :1.389 ± 0.02
surface tension :26.2 ± 3.0 dyne/cm
density :0.890 ± 0.06 g/cm3
polarizability :10.76 ± 0.5 10-24cm3
xlogp : 1.40
molecular weight : 102.1317000
formula :C5 H10 O2
 
 
fda reg :172.515 h. number :2915.13.0000
organoleptics : 
odor type :fruity
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
fruity plum rum brandy
properties : 
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.89200 @ 25.00 °C.
refractive index :1.38900 - 1.38910 @ 20.00 °C.
melting point : -90.00 °C. @ 760.00 mm Hg
boiling point : 106.00 - 107.00 °C. @ 760.00 mm Hg
logp : 1.30
safety : 
Oral Toxicity(LD50) : Oral-Rabbit    2656.00  mg/kg    
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI) :21.00 (μg/capita/day)
  
flash point ( Deg. F. ) : 57.00  °F.  TCC  ( 13.89 °C. )
  
recommendation for butyl formate usage levels up to :
  0.5000 % in the fragrance concentrate.
  
recommendation for butyl formate usage levels up to :
  15.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :209-772-5
rtecs :LQ5500000 for 592-84-7
chemidplus :000592847
epa-srs :592-84-7
dtp/nci :6969
  
other : 
 
references : 
pubchem :154919
NIST Chemistry WebBook :2497919023
  
synonyms :
 butyl formate
N-butyl formate
 butyl methanoate
N-butyl methanoate
 formic acid butyl ester
soluble in :
 alcohol
 water, 7560 mg/L @ 27C
insoluble in :
 water
(odor and/or flavor) used in :
 peau d'espagne
 plum
 plum greengage plum
 plum mirabelle plum
 rum
natural occurrence in :
pear



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