3-octanon-1-ol
organoleptics  properties  safety  references    FEMA Index    Home Page
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
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
cas number :65405-68-7
(EINECS) number :265-739-5
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 (IUPAC)
formula :C8 H16 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.515
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 : 90.00 to 100.00 %   
additional assay information :1-hydroxy-3-octanone: 5% - 10%
Food Chemicals Codex Listed :No
specific gravity :0.94500 to 0.94900 @ 25.00 °C.
pounds per gallon - calc. : 7.863 to 7.897
refractive index :1.44400 to 1.44700 @ 20.00 °C.
boiling point : 94.00 to 96.00 °C. @ 9.00 mm Hg
flash point : 196.00  °F.  TCC  ( 91.11 °C. )
logP (o/w) : 1.16
safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :7.00 (μg/capita/day)
 
recommendation for 3-octanon-1-ol fragrance usage levels up to :
  0.0500 % in the fragrance concentrate.
recommendation for 3-octanon-1-ol flavor usage levels up to :
  1.0000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
EPA Chem. Sub. Inventory : Yes
 
 
 
 
3-(hydroxymethyl)heptan-2-one
(EINECS) number :265-739-5
chemidplus :065405687
EPA Substance Registry Services :65405-68-7
references :
 
3-(hydroxymethyl)heptan-2-one
fl. number :07.039
jecfa number :604
pubchem :198966
other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 caproyl ethanol
 hexanoyl ethanol
3-hydroxymethyl-2-heptanone
3-(hydroxymethyl) heptan-2-one
3-(hydroxymethyl)-2-heptanone
3-(hydroxymethyl)heptan-2-one
 ketone alcohol
 methylol methyl amyl ketone
 octan-3-on-1-ol
3-oxo-1-octanol
soluble in :
 alcohol
 water, very slightly
insoluble in :
 water
potential blenders :
 agrumen nitrileFR
alpha-amyl cinnamaldehydeFL/FR
 amyl furoateFL/FR
isoamyl heptanoateFL/FR
para-anisyl methyl ketoneFL/FR
para-anisyl propionateFL/FR
 benzyl acetoneFL/FR
 benzyl formateFL/FR
 benzyl methyl tiglateFL
 birch oil sweet americaFL/FR
isobutyl (E,E)-2,4-decadienamideFL/FR
 butyl heptanoateFL/FR
isobutyl heptanoateFL/FR
 butyl levulinateFL/FR
isobutyl methyl ketoneFL/FR
 butyl tiglateFL/FR
sec-butyl-3-methyl but-2-ene thioateFL/FR
 cadinadieneFL/FR
 calameneneFL/FR
 carrot leaf oilFL/FR
 carrot weed oilFL/FR
 carvacryl ethyl etherFL/FR
 carvacryl methyl etherFL/FR
 cassis methanolFR
 chamomile propionateFR
 chamomile valerateFL/FR
 cinnamaldehyde dimethyl acetalFL/FR
 cinnamyl propionateFL/FR
 coriander seed absoluteFL/FR
 coriander seed concreteFL/FR
 coriander seed oilFL/FR
(-)-cubenolFL/FR
 cuminyl acetateFL/FR
 cuminyl alcoholFL/FR
 currant bud absolute blackFL/FR
 dehydroxylinalool oxideFL/FR
 diethyl malateFL
 dihydrojasmoneFL/FR
2,4-dimethyl anisoleFL
 dimethyl benzyl carbinyl butyrateFL/FR
 ethyl 4-pentenoateFL/FR
 ethyl cinnamateFL/FR
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-oneFL/FR
5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-oneFL/FR
 geranyl tiglateFL/FR
 ginger oleoresinFL
2-heptanoneFL/FR
 herbal acetalFR
(E)-2-hexenoic acidFL
 hexyl 3-mercaptobutanoateFL/FR
 hexyl tiglateFL/FR
2-hexylidene cyclopentanoneFL/FR
 jasmin absoluteFL/FR
 lavender absoluteFL/FR
 lavender absolute franceFL/FR
 linalyl octanoateFL/FR
 marjoram oil sweet cubaFL/FR
 marjoram oil sweet cyprusFL/FR
 marjoram oil sweet egyptFL/FR
 marjoram oil sweet moroccoFL/FR
para-menth-1-en-9-alFL/FR
para-menth-1-ene-9-olFL/FR
 menthadienyl formateFR
1-para-menthen-9-yl acetateFL/FR
 menthone-8-thioacetateFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
2-methyl butyl isovalerateFL/FR
 methyl hexyl etherFL/FR
T-muurololFL/FR
 myrtenyl acetateFL/FR
 nonan-3-yl acetateFL/FR
3-nonanolFL/FR
3-nonanoneFL/FR
 nonisyl acetateFR
 octanal diethyl acetalFL/FR
3-octen-2-oneFL/FR
 orris capronateFL/FR
 parsley seed oilFL/FR
 patchouli absoluteFL/FR
 perillyl acetateFL/FR
beta-sesquiphellandreneFL/FR
 privet dioxaneFR
 propyl 2-furan acrylateFL/FR
 rhodinyl isobutyrateFL/FR
 rose carboxylateFR
 rose undeceneFR
 rue flower oil colombiaFL/FR
 rue oilFL/FR
 rue oil cubaFL/FR
 saffron indenoneFL/FR
 safranalFL/FR
 spathulenolFL/FR
 tagete flower oil rwandaFL/FR
 tagete oilFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil turkeyFL/FR
 tagete oil zambiaFL/FR
 terpinyl isobutyrateFL/FR
 thymyl methyl etherFL/FR
 tolu balsam oilFL/FR
 tricyclodecenyl propionateFR
 viridiflorolFL/FR
potential uses :
 arnica
 caraway
 cassis black currant bud
 coriander
 ginger white ginger
 herbal
 hollyberry
 marigold tagete
 marjoram
 myrtle
 rue
 saffron
 wormwood absinthium
natural occurrence in :
 not found in nature  



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 © 1980-2010 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 01/27/2010