EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
BT
 

3-octanon-1-ol
3-oxo-1-octanol

Sponsors

Name: 3-(hydroxymethyl)heptan-2-one
CAS Number: 65405-68-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 265-739-5
FDA UNII: NWU4UN7SMJ
Nikkaji Web: J307.394G
CoE Number: 592
XlogP3-AA: 1.20 (est)
Molecular Weight: 144.21392000
Formula: C8 H16 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
JECFA Food Flavoring: 604 3-(hydroxymethyl)-2-heptanone
FEMA Number: 2804 3-oxo-1-octanol
FDA Mainterm: 3-(HYDROXYMETHYL)-2-HEPTANONE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
 
Physical Properties:
Appearance: colorless clear liquid (est)
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 - (est).: 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
Vapor Pressure: 0.016000 mm/Hg @ 25.00 °C. (est)
Flash Point: 196.00 °F. TCC ( 91.11 °C. )
logP (o/w): 1.157 (est)
Soluble in:
 alcohol
 water, very slightly
 water, 6.8e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: herbal
Odor Strength: medium ,
recommend smelling in a 1.00 % solution or less
 fruity herbal spicy
Odor Description:
at 1.00 % in dipropylene glycol.
fruity herbal spicy
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
3-(hydroxymethyl)heptan-2-one
Parchem
3-octanon-1-ol
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for 3-octanon-1-ol usage levels up to:
  0.0500 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 7.00 (μg/capita/day)
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 3. Update in publication number(s): 13
 average usual ppmaverage maximum ppm
baked goods: 0.600000.80000
beverages(nonalcoholic): -0.20000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: -1.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.30000
fruit ices: -0.30000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -0.80000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
European Food Safety Athority(efsa): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 65405-68-7
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5362561
National Institute of Allergy and Infectious Diseases: Data
 3-(hydroxymethyl)heptan-2-one
Chemidplus: 0065405687
 
References:
 3-(hydroxymethyl)heptan-2-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5362561
Pubchem (sid): 135267593
 
Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS): View
HMDB (The Human Metabolome Database): HMDB36165
FooDB: FDB015019
ChemSpider: View
FAO: 3-(Hydroxymethyl)-2-heptanone
 
Potential Blenders and core components note
For Odor
No odor group found for these
arnica montana flower extract
FL/FR
para-
menth-1-en-9-al
FL/FR
aldehydic
aldehydic
agrumen nitrile
FR
anise
sweet
fennel seed oil
FL/FR
anisic
amyl furoate
FL/FR
balsamic
ethyl cinnamate
FL/FR
tolu balsam oil
FL/FR
caramellic
diethyl malate
FL/FR
5-
ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
FL/FR
cheesy
2-
heptanone
FL/FR
earthy
3-
octen-2-one
FL/FR
ethereal
ethyl 4-pentenoate
FL/FR
fatty
perillaldehyde propylene glycol acetal
FL/FR
floral
iso
amyl angelate
FL/FR
alpha-
amyl cinnamaldehyde
FL/FR
benzyl acetone
FL/FR
benzyl formate
FL/FR
butyl tiglate
FR
cassie absolute replacer
FL/FR
cassis cyclohexene
FR
coriander seed oil
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
geranyl tiglate
FL/FR
2-
hexylidene cyclopentanone
FL/FR
jasmin absolute egypt (from concrete)
FL/FR
(Z)-
jasmone
FL/FR
menthadienyl formate
FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
nonan-3-yl acetate
FL/FR
3-
nonanone
FL/FR
rhodinyl isobutyrate
FL/FR
rose carboxylate
FR
(Z)-
rose oxide
FL/FR
rose undecene
FR
terpinyl isobutyrate
FL/FR
fruity
para-
anisyl methyl ketone
FL/FR
para-
anisyl propionate
FL/FR
balsam specialty
FR
1,4-
diethyl-6,8-dioxabicyclo(3.2.1)octane
FR
green acetate
FR
herbanate (Givaudan)
FR
para-
menth-1-ene-9-ol
FL/FR
2-
methyl butyl isovalerate
FL/FR
perillyl acetate
FL/FR
green
iso
butyl heptanoate
FL/FR
butyl heptanoate
FL/FR
iso
butyl methyl ketone
FL/FR
sec-
butyl-3-methyl but-2-ene thioate
FL/FR
carrot leaf oil (daucus carota ssp.maximus)
FR
dicyclopentadiene propionate
FR
herbal cyclohexane
FR
hexyl tiglate
FL/FR
magnolia flower oil CO2 extract
FL/FR
octanal diethyl acetal
FL/FR
privet dioxane
FR
herbal
agate fragrance
FR
iso
amyl heptanoate
FL/FR
artemisia ludoviciana oil
FR
buchu mercaptan acetate
FL/FR
butyl levulinate
FL/FR
carrot seed oil (daucus carota ssp. maximus (desf.) ball)
FR
carum carvi fruit oil
FL/FR
carvacryl methyl ether
FL/FR
celery ketone
FL/FR
chamomile propionate
FR
chamomile valerate
FR
coriander seed absolute
FL/FR
coriander seed concrete
FR
cuminyl acetate
FL/FR
dehydroxylinalool oxide
FL/FR
dimethyl benzyl carbinyl crotonate
FL/FR
elder flower absolute (sambucus canadensis and s. nigra)
FR
herbal acetal
FR
lavender absolute bulgaria
FL/FR
lavender absolute france
FL/FR
linalyl formate
FL/FR
linalyl octanoate
FL/FR
1-para-
menthen-9-yl acetate
FL/FR
methyl hexyl ether
FL/FR
T-
muurolol
FL/FR
(1S,5R)-
myrtenyl acetate
FL/FR
myrtle oil
FL/FR
3-
nonanol
FL/FR
nonisyl acetate
FR
curled
parsley leaf oil
FL/FR
curled
parsley seed oil
FL/FR
rue oil
FL/FR
rue oil cuba
FL/FR
saffron indenone
FL/FR
safranal
FL/FR
tagete oil CO2 extract
FL/FR
tagete oil egypt
FL/FR
tagete oil rwanda
FL/FR
tagete oil south africa
FL/FR
tagete oil turkey
FL/FR
tagete oil zambia
FL/FR
thymyl methyl ether
FL/FR
tricyclodecenyl isobutyrate
FR
tricyclodecenyl propionate
FR
viridiflorol
FL/FR
minty
betula lenta bark oil america
FL/FR
orris
orris capronate
FL/FR
spicy
iso
butyl (E,E)-2,4-decadienamide
FL/FR
carrot weed oil
FL/FR
carvacryl ethyl ether
FL/FR
cinnamaldehyde dimethyl acetal
FL/FR
cinnamyl propionate
FL/FR
(-)-
cubenol
FL/FR
cuminyl alcohol
FL/FR
black
currant bud absolute
FL/FR
ginger oleoresin africa
FL/FR
ginger root absolute
FL/FR
hollyberry fragrance
FR
ocimum gratissimum herb oil india
FR
origanum majorana oil
FL/FR
origanum majorana oil CO2 extract
FL/FR
origanum majorana oil cuba
FL/FR
origanum majorana oil morocco
FL/FR
outdoors specialty
FR
white
pepper oil
FL/FR
black
pepper oil CO2 extract
FL/FR
black
pepper oleoresin
FL/FR
(E)-
propyl 2-furan acrylate
FL/FR
saffron oil CO2 extract
FL/FR
woody
cedarwood oil himalaya
FR
cistus twig/leaf oil
FL/FR
2-
decalinyl acetate
FR
patchouli absolute
FR
sandalwood oil
FL/FR
(±)-
tetrahydronootkatone
FL/FR
For Flavor
No flavor group found for these
iso
amyl angelate
FL/FR
amyl furoate
FL/FR
para-
anisyl propionate
FL/FR
arnica montana flower extract
FL/FR
benzyl methyl tiglate
FL
iso
butyl (E,E)-2,4-decadienamide
FL/FR
iso
butyl heptanoate
FL/FR
sec-
butyl-3-methyl but-2-ene thioate
FL/FR
carvacryl ethyl ether
FL/FR
carvacryl methyl ether
FL/FR
cassie absolute replacer
FL/FR
cistus twig/leaf oil
FL/FR
cuminyl acetate
FL/FR
diethyl malate
FL/FR
(±)-(cis+trans)-1,2-
dihydroperillaldehyde
FL
2,4-
dimethyl anisole
FL
dimethyl benzyl carbinyl crotonate
FL/FR
ethyl 4-pentenoate
FL/FR
5-
ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
FL/FR
fleabane oil (erigeron canadensis)
FL
2-
heptyl cyclopropane carboxylic acid
FL
2-
hexylidene cyclopentanone
FL/FR
linalyl formate
FL/FR
magnolia flower oil CO2 extract
FL/FR
para-
menth-1-en-9-al
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
T-
muurolol
FL/FR
nonan-3-yl acetate
FL/FR
3-
nonanol
FL/FR
perillaldehyde propylene glycol acetal
FL/FR
terpinyl isobutyrate
FL/FR
(±)-
tetrahydronootkatone
FL/FR
viridiflorol
FL/FR
althaea officinalis root tincture
FL
hexyl 3-mercaptobutanoate
FL
acidic
acidic
(E)-2-
hexenoic acid
FL
anise
sweet
fennel seed oil
FL/FR
balsamic
ethyl cinnamate
FL/FR
tolu balsam oil
FL/FR
berry
perillyl acetate
FL/FR
buttery
bovolide
FL
caramellic
5-
ethyl-3,4,5,6-tetramethyl cyclohexen-2-one
FL
cheesy
2-
heptanone
FL/FR
creamy
althaea officinalis root extract
FL
3-
octen-2-one
FL/FR
ethereal
methyl hexyl ether
FL/FR
floral
cinnamyl propionate
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
geranyl tiglate
FL/FR
jasmin absolute egypt (from concrete)
FL/FR
rhodinyl isobutyrate
FL/FR
fruity
benzyl acetone
FL/FR
benzyl formate
FL/FR
buchu mercaptan acetate
FL/FR
butyl heptanoate
FL/FR
linalyl octanoate
FL/FR
1-para-
menthen-9-yl acetate
FL/FR
2-
methyl butyl isovalerate
FL/FR
(E)-
propyl 2-furan acrylate
FL/FR
tagete oil CO2 extract
FL/FR
tagete oil rwanda
FL/FR
tagete oil south africa
FL/FR
tagete oil turkey
FL/FR
tagete oil zambia
FL/FR
green
iso
butyl methyl ketone
FL/FR
carrot weed oil
FL/FR
celery ketone
FL/FR
hexyl tiglate
FL/FR
3-
nonanone
FL/FR
octanal diethyl acetal
FL/FR
(Z)-
rose oxide
FL/FR
herbal
iso
amyl heptanoate
FL/FR
butyl levulinate
FL/FR
carum carvi fruit oil
FL/FR
coriander seed absolute
FL/FR
coriander seed oil
FL/FR
lavender absolute bulgaria
FL/FR
lavender absolute france
FL/FR
para-
menth-1-ene-9-ol
FL/FR
origanum majorana oil
FL/FR
origanum majorana oil CO2 extract
FL/FR
curled
parsley leaf oil
FL/FR
curled
parsley seed oil
FL/FR
rue oil
FL/FR
rue oil cuba
FL/FR
saffron indenone
FL/FR
tagete oil egypt
FL/FR
minty
betula lenta bark oil america
FL/FR
musty
thymyl methyl ether
FL/FR
orris
orris capronate
FL/FR
spicy
para-
anisyl methyl ketone
FL/FR
sweet
bay oleoresin
FL
cinnamaldehyde dimethyl acetal
FL/FR
(-)-
cubenol
FL/FR
cuminyl alcohol
FL/FR
black
currant bud absolute
FL/FR
ginger oleoresin africa
FL/FR
ginger root absolute
FL/FR
myrtle oil
FL/FR
origanum majorana oil cuba
FL/FR
origanum majorana oil morocco
FL/FR
white
pepper oil
FL/FR
black
pepper oil CO2 extract
FL/FR
black
pepper oleoresin
FL/FR
saffron oil CO2 extract
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
woody
dehydroxylinalool oxide
FL/FR
(Z)-
jasmone
FL/FR
(1S,5R)-
myrtenyl acetate
FL/FR
safranal
FL/FR
sandalwood oil
FL/FR
 
Potential Uses:
 arnicaFR
 carawayFL/FR
 cassis black currant budFL/FR
 corianderFL/FR
 ginger whiteFR
 herbalFR
 hollyberryFR
 marigold tageteFL/FR
 marjoramFL/FR
 myrtleFL/FR
 rueFL/FR
 saffronFR
 wormwood absinthiumFL/FR
 
Occurrence (nature, food, other): note
 not found in nature
 
Synonyms:
2-acetyl-1-hexanol
 caproyl ethanol
2-heptanone, 3-(hydroxymethyl)-
 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
 

Articles:

 None found yet.
 
Notes:
Used as a food additive [EAFUS]
 
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