2-heptanone
Notes :
Good fortifier for lavender.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :heptan-2-one
InChI :InChI=1/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3
InChIKey :CATSNJVOTSVZJV-UHFFFAOYAO
SMILES :CCCCCC(=O)C
(EINECS) number :203-767-1
eu annex :606-024-00-3
cas number :110-43-0
beilstein number :1699063
fema number :2544
coe number :136
jecfa number :283
fl. number :07.002
molar refractivity :34.50 ± 0.3 cm3
parachor :315.7 ± 4.0 cm3
index of refraction :1.403 ± 0.02
surface tension :24.9 ± 3.0 dyne/cm
density :0.808 ± 0.06 g/cm3
polarizability :13.68 ± 0.5 10-24cm3
xlogp : 2.10
molecular weight : 114.1854600
formula :C7 H14 O
BioActivity Analysis :48415108
 
 
fda reg :172.515 h. number :2914.10
organoleptics : 
odor type :cheesy
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
fruity spicy sweet herbal coconut woody
taste description³ :at 20.00 ppm.  
Cheese, fruity, coconut, waxy, green
substantivity :4  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 95.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.81400 - 0.81900 @ 25.00 °C.
pounds per gallon - calc. : 6.773 to 6.815
refractive index :1.40800 - 1.41500 @ 20.00 °C.
melting point : -26.90 °C. @ 760.00 mm Hg
boiling point : 149.00 - 150.00 °C. @ 760.00 mm Hg
boiling point : 151.00 °C. @ 2.60 mm Hg
acid value : 2.00  max.  KOH/g
logp : 1.98
safety : 
most important hazard(s) : Xn - Harmful.
  
Oral Toxicity(LD50) : Oral-Rat   [sex: M]  1670.00  mg/kg    (Smyth et al., 1962)
Oral-Mouse   [sex: M]  2407.00  mg/kg    (Tanii et al., 1986)
Oral-Mouse    1088.00  mg/kg    (Schafer & Bowles, 1985)
Oral-Mouse    730.00  mg/kg    (Srepel & Akacic, 1962)
Dermal Toxicity(LD50) : Skin-Rabbit  12600.00  ul/kg    
Maximised Survey-derived Daily Intakes (MSDI) :96.00 (μg/capita/day)
  
flash point ( Deg. F. ) : 117.00  °F.  TCC  ( 47.22 °C. )
  
recommendation for 2-heptanone usage levels up to :
  2.0000 % in the fragrance concentrate.
  
recommendation for 2-heptanone usage levels up to :
  25.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :203-767-1
rtecs :MJ5075000 for 110-43-0
chemidplus :000110430
epa-srs :110-43-0
dtp/nci :7313
  
other : 
 
references : 
pubchem :151169
NIST Chemistry WebBook :3359666669
  
reference : Mosciano, Gerard P&F 16, No. 4, 45, (1991)³
synonyms :
 amyl methyl ketone
N-amyl methyl ketone
 butyl acetone
 heptan-2-one
2-heptanone
 ketone C-7
 methyl amyl ketone
 methyl N-amyl ketone
 methyl N-pentyl ketone
 methyl pentyl ketone
 pentyl methyl ketone
N-pentyl methyl ketone
soluble in :
 alcohol
 propylene glycol
 water, 4300 mg/L @ 25C
insoluble in :
 water
stability :
 cream
 hair spray
 lipstick
 lotion
 non-discoloring in most media
 shampoo
 soap
(odor and/or flavor) blends with :
 lavender oil
 methyl heptyl ketone
 methyl hexyl ketone
 methyl nonyl ketone
(odor and/or flavor) used in :
 apple
 banana
 beer
 blackberry
 bread white bread
 butter
 carnation dianthus oeillet
 cheese roguefort cheese
 cheese swiss cheese
 chypre
 cinnamon
 clove
 coconut
 cranberry
 currant
 date
 fern fougere
 floral
 gooseberry
 grenadine
 herbal
 hops houblon
 huckleberry bilberry
 lavender
 mulberry
 nut
 orange
 peach
 pear emperor pear
 pheromone bee alarm pheromone
 pineapple
 plum
 quince
 raspberry
 spice
 strawberry
 tangerine
natural occurrence in :
beer
berries
data pageboldo leaf oil italy @ 0.06%
data pageboldus leaf oil chile @ 0.03%
bread white bread
butter
data pagecascarilla bark oil @ 0.01%
cheese bleu cheese
cheese cheddar cheese
cheese gorgonzola cheese
cheese swiss cheese
cinnamon
clove
coconut
pear
potato chip
data pagerue flower oil colombia @ 0.09%
data pagerue oil china @ 0.01%
rue plant
strawberry
data pageulva rigida oil greece @ 5.60%



information only - not sold by The Good Scents Company.



Please share your Information / Comments.

Your email Address:



Top of Page          The Good Scents Company Home

Copyright © 1980-2008 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 06/12/2008