3-octanon-1-ol
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :3-(hydroxymethyl)heptan-2-one
InChI :InChI=1/C8H16O2/c1-3-4-5-8(6-9)7(2)10/h8-9H,3-6H2,1-2H3
InChIKey :MHOXVRWQBOAOAU-UHFFFAOYAE
SMILES :CCCCC(CO)C(=O)C
(EINECS) number :265-739-5
cas number :65405-68-7
fema number :2804
coe number :592
jecfa number :604
fl. number :07.039
molar refractivity :40.63 ± 0.3 cm3
parachor :369.6 ± 4.0 cm3
index of refraction :1.435 ± 0.02
surface tension :31.8 ± 3.0 dyne/cm
density :0.926 ± 0.06 g/cm3
polarizability :16.10 ± 0.5 10-24cm3
xlogp : 1.30
molecular weight : 144.2114400
formula :C8 H16 O2
 
 
export tariff code :unspecified
fda reg :unspecified
 
 

organoleptics :
odor type :herbal
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
fruity herbal spicy

properties :
appearence :colorless clear liquid
assay : 96.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.94500 - 0.94900 @ 25.00 °C.
pounds per gallon - calc. : 7.863 to 7.897
refractive index :1.44400 - 1.44700 @ 20.00 °C.
boiling point : 94.00 - 96.00 °C. @ 9.00 mm Hg
logp : 1.16

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI-EU) :7.00 (μg/capita/day)
  
flash point ( Deg. F. ) : 196.00  °F.  TCC  ( 91.11 °C. )
  
recommendation for 3-octanon-1-ol usage levels up to :
  0.0500 % in the fragrance concentrate.
  
recommendation for 3-octanon-1-ol usage levels up to :
  1.0000 ppm in the flavor.
  

safety links :
(EINECS) number :265-739-5
chemidplus :065405687
epa-srs :65405-68-7
  

other :
 

references :
jecfa number :604
fl. number :07.039
pubchem :198966
  
synonyms :
 caproyl ethanol
 hexanoyl ethanol
3-hydroxymethyl-2-heptanone
3-(hydroxymethyl) heptan-2-one
3-(hydroxymethyl)-2-heptanone
 ketone alcohol
 methylol methyl amyl ketone
 octan-3-on-1-ol
3-oxo-1-octanol
3-octanon-1-ol
soluble in :
 alcohol
 water, very slightly
insoluble in :
 water
(odor and/or flavor) blends with :
 agrumen nitrile
alpha-amyl cinnamaldehyde
 amyl furoate
isoamyl heptanoate
para-anisyl methyl ketone
para-anisyl propionate
 benzyl acetone
 benzyl formate
 benzyl methyl tiglate
 birch oil sweet america
isobutyl (E,E)-2,4-decadienamide
 butyl heptanoate
isobutyl heptanoate
 butyl levulinate
isobutyl methyl ketone
 butyl tiglate
sec-butyl-3-methyl but-2-ene thioate
 cadinadiene
 calamenene
 carrot leaf oil
 carrot weed oil
 carvacryl ethyl ether
 carvacryl methyl ether
 cassis methanol
 chamomile propionate
 chamomile valerate
 cinnamaldehyde dimethyl acetal
 cinnamyl propionate
 coriander seed absolute
 coriander seed concrete
 coriander seed oil
(-)-cubenol
 cuminyl acetate
 cuminyl alcohol
 currant bud absolute black
 dehydroxylinalool oxide
 diethyl malate
 dihydrojasmone
2,4-dimethyl anisole
 dimethyl benzyl carbinyl butyrate
 ethyl 4-pentenoate
 ethyl cinnamate
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-one
 geranyl tiglate
 ginger oleoresin
2-heptanone
 herbal acetal
(E)-2-hexenoic acid
 hexyl 3-mercaptobutanoate
 hexyl tiglate
2-hexylidene cyclopentanone
 jasmin absolute
 lavender absolute
 lavender absolute france
 linalyl octanoate
 marjoram oil sweet cuba
 marjoram oil sweet cyprus
 marjoram oil sweet egypt
 marjoram oil sweet morocco
para-menth-1-en-9-al
para-menth-1-ene-9-ol
 menthadienyl formate
1-para-menthen-9-yl acetate
 menthone-8-thioacetate
 methyl benzyl acetate (mixed ortho-,meta-,para-)
2-methyl butyl isovalerate
 methyl hexyl ether
T-muurolol
 myrtenyl acetate
 nonan-3-yl acetate
3-nonanol
3-nonanone
 nonisyl acetate
 octanal diethyl acetal
3-octen-2-one
 orris capronate
 parsley seed oil
 patchouli absolute
 perillyl acetate
beta-sesquiphellandrene
 privet dioxane
 propyl 2-furan acrylate
 rhodinyl isobutyrate
 rose carboxylate
 rose undecene
 rue flower oil colombia
 rue oil
 rue oil cuba
 saffron indenone
 safranal
 spathulenol
 tagete flower oil rwanda
 tagete oil
 tagete oil CO2 extract
 tagete oil turkey
 tagete oil zambia
 terpinyl isobutyrate
 thymyl methyl ether
 tolu balsam oil
 tricyclodecenyl propionate
 viridiflorol
(odor and/or flavor) used in :
 herbal
natural occurrence in :
not found in nature



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