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

ethyl 3-hydroxyoctanoate
3-hydroxyoctanoic acid ethyl ester

Supplier Sponsors

Name:ethyl 3-hydroxyoctanoate
CAS Number: 7367-90-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:230-919-4
FDA UNII:6RC31Z1JXT
Nikkaji Web:J140.302H
MDL:MFCD00082952
CoE Number:10603
XlogP3-AA:2.10 (est)
Molecular Weight:188.26700000
Formula:C10 H20 O3
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Racemate (EFFA, 2010a).
Category:flavoring 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:1955 ethyl 3-hydroxyoctanoate
FLAVIS Number:09.916 (Old)
DG SANTE Food Flavourings:09.916 ethyl 3-hydroxyoctanoate
FEMA Number:4453 ethyl 3-hydroxyoctanoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):7367-90-0 ; ETHYL 3-HYDROXYOCTANOATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.97300 to 0.97900 @ 25.00 °C.
Pounds per Gallon - (est).: 8.096 to 8.146
Refractive Index:1.42100 to 1.42700 @ 20.00 °C.
Boiling Point: 275.00 to 276.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.001000 mmHg @ 25.00 °C. (est)
Flash Point: 228.00 °F. TCC ( 108.89 °C. )
logP (o/w): 2.136 (est)
Soluble in:
 alcohol
 water, 1860 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: winey
Odor Strength:medium
winey fruity floral
Odor Description:at 100.00 %. winey fruity floral
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Ethyl 3-hydroxyoctanoate
M&U International
ETHYL 3-HYDROXYOCTANOATE, Kosher
Matrix Scientific
For experimental / research use only.
Ethyl 3-hydroxyoctanoate, 95+%
Penta International
ETHYL-3-HYDROXY OCTANOATE
 
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: flavoring agents
Recommendation for ethyl 3-hydroxyoctanoate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.011 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
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: 24
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 0.050000.20000
beverages(alcoholic): 0.000100.00100
breakfast cereal: --
cheese: --
chewing gum: 0.000100.00100
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: 0.200002.00000
granulated sugar: --
gravies: --
hard candy: --
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: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
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):

Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - 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 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 64 (FGE.64): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (57th meeting) structurally related to 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 evaluated by EFSA in FGE.10Rev1 (EFSA, 2008ab)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 92 (FGE.92): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (68th meeting) structurally related to aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones evaluated by EFSA in FGE.10Rev1 (2009)
View page or View pdf

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

Scientific Opinion on Flavouring Group Evaluation 10, Revision 3 (FGE.10Rev3): 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 ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :110975
National Institute of Allergy and Infectious Diseases:Data
ethyl 3-hydroxyoctanoate
Chemidplus:0007367900
 
References:
 ethyl 3-hydroxyoctanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:7367-90-0
Pubchem (cid):110975
Pubchem (sid):135067974
 
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 Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB41600
FooDB:FDB021754
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:Ethyl 3-hydroxyoctanoate
 
Potential Blenders and core components note
For Odor
balsamic
cinnamyl butyrate
FL/FR
cinnamyl formate
FL/FR
caramellic
diethyl malate
FL/FR
citrus
2-
heptanol
FL/FR
ethereal
methyl acetate
FL/FR
fatty
butyl undecylenate
FL/FR
fermented
methyl decanoate
FL/FR
floral
iso
amyl angelate
FL/FR
benzyl acetate
FL/FR
benzyl acetoacetate
FL/FR
benzyl isobutyrate
FL/FR
(S)-
citronellyl acetate
FL/FR
citronellyl butyrate
FL/FR
citronellyl hexanoate
FL/FR
(E)-
citronellyl tiglate
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
ethyl 2-benzyl butyrate
FL/FR
ethyl anthranilate
FL/FR
ethyl ethyl anthranilate
FL/FR
geraniol
FL/FR
geranyl isobutyrate
FL/FR
ionone mixed isomers
FL/FR
iso
jasmone
FL/FR
linalyl butyrate
FL/FR
magnolia flower oil CO2 extract
FL/FR
methoxymelonal
FL/FR
para-
methyl benzyl acetate
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
methyl ionyl acetate
FL/FR
(±)-3-
methyl-gamma-decalactone
FL/FR
3-
nonanon-1-yl acetate
FL/FR
orris rhizome concrete butter (iris pallida)
FL/FR
osmanthus concrete
FL/FR
petitgrain mandarin oil
FL/FR
phenethyl isobutyrate
FL/FR
phenethyl isovalerate
FL/FR
1-
phenyl propyl butyrate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
iso
propyl benzoate
FL/FR
rhodinyl butyrate
FL/FR
star fruit oil cuba
FL/FR
styralyl propionate
FL/FR
terpinyl valerate
FL/FR
fruity
apricot essence
FL/FR
benzyl propionate
FL/FR
benzyl valerate
FL/FR
butyl 2-naphthyl ether
FL/FR
butyl anthranilate
FL/FR
iso
butyl furyl propionate
FL/FR
citronellyl isobutyrate
FL/FR
(Z)-beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
beta-
damascone
FL/FR
decanal methyl enol ether
FL/FR
diethyl laevo-tartrate
FL/FR
(R)-gamma-
dodecalactone
FL/FR
dodecyl propionate
FL/FR
ethyl 2-ethyl acetoacetate
FL/FR
farnesyl acetone
FL/FR
geranyl acetoacetate
FL/FR
linalool oxide acetates
FL/FR
3-
mercaptohexyl acetate
FL/FR
methyl isobutyrate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
2-
nonanone propylene glycol acetal
FL/FR
alpha-
ocimene
FL/FR
propyl 2-methyl butyrate
FL/FR
sambucus canadensis fruit absolute
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
(R)-
styralyl acetate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
green
iso
amyl 3-(2-furan) propionate
FL/FR
green
cognac oil
FL/FR
herbal
iso
amyl tiglate
FL/FR
tagete oil madagascar
FL/FR
honey
methyl hydrocinnamate
FL/FR
medicinal
ortho-
cresyl acetate
FL/FR
mentholic
laevo-
menthyl acetate
FL/FR
powdery
alpha-
methyl ionone
FL/FR
(E)-alpha-
methyl ionone (74-80%)
FL/FR
spicy
spicy acetoacetate
FL/FR
waxy
allyl nonanoate
FL/FR
dihydrocitronellyl acetate
FL/FR
(E)-
methyl geranate
FL/FR
phytyl acetate
FL/FR
winey
butyl angelate
FL/FR
2-
hexanol
FL/FR
methyl 3-acetoxyoctanoate
FL/FR
woody
kaempferia galanga rhizome oil
FL/FR
For Flavor
No flavor group found for these
1-
acetyl cyclohexyl acetate
FL
iso
amyl angelate
FL/FR
iso
amyl tiglate
FL/FR
benzyl valerate
FL/FR
butyl 2-naphthyl ether
FL/FR
butyl angelate
FL/FR
2-
butyl furan
FL
2-
butyl thiophene
FL
ortho-
cresyl acetate
FL/FR
diethyl laevo-tartrate
FL/FR
diethyl malate
FL/FR
dihydrocitronellyl acetate
FL/FR
S-(2,5-
dimethyl-3-furyl) ethane thioate
FL
(R)-gamma-
dodecalactone
FL/FR
dodecyl propionate
FL/FR
ethyl 2-benzyl butyrate
FL/FR
ethyl ethyl anthranilate
FL/FR
farnesyl acetone
FL/FR
geranyl acetoacetate
FL/FR
2-
hexanol
FL/FR
4-
hydroxyphenethyl alcohol
FL
ionone mixed isomers
FL/FR
linalool oxide acetates
FL/FR
magnolia flower oil CO2 extract
FL/FR
methyl 3-acetoxyoctanoate
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
(E)-
methyl geranate
FL/FR
methyl hydrocinnamate
FL/FR
(±)-3-
methyl-gamma-decalactone
FL/FR
2-
nonanone propylene glycol acetal
FL/FR
alpha-
ocimene
FL/FR
oenanthic ether
FL
1-
phenyl propyl butyrate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
phytyl acetate
FL/FR
propyl 2-methyl butyrate
FL/FR
iso
propyl benzoate
FL/FR
(R)-
styralyl acetate
FL/FR
vitispirane
FL
iso
amyl 3-(2-furan) propionate
FL/FR
benzyl acetoacetate
FL/FR
iso
butyl furyl propionate
FL/FR
beta-
damascone
FL/FR
decanal methyl enol ether
FL/FR
burnt
burnt
ethyl 2-furoate
FL
camphoreous
kaempferia galanga rhizome oil
FL/FR
citrus
petitgrain mandarin oil
FL/FR
styralyl propionate
FL/FR
ethereal
methyl acetate
FL/FR
methyl isobutyrate
FL/FR
fatty
methyl decanoate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
floral
(S)-
citronellyl acetate
FL/FR
citronellyl hexanoate
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
geraniol
FL/FR
geranyl isobutyrate
FL/FR
linalyl butyrate
FL/FR
2-
methyl butyl 3-methyl butenoate
FL
(E)-alpha-
methyl ionone (74-80%)
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
orris rhizome concrete butter (iris pallida)
FL/FR
rhodinyl butyrate
FL/FR
fruity
apricot essence
FL/FR
benzyl acetate
FL/FR
benzyl isobutyrate
FL/FR
benzyl propionate
FL/FR
butyl anthranilate
FL/FR
citronellyl butyrate
FL/FR
citronellyl isobutyrate
FL/FR
(E)-beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
ethyl 2-ethyl acetoacetate
FL/FR
ethyl anthranilate
FL/FR
2-
heptanol
FL/FR
2-
hexyl-4-acetoxytetrahydrofuran
FL
methoxymelonal
FL/FR
para-
methyl benzyl acetate
FL/FR
alpha-
methyl ionone
FL/FR
3-
nonanon-1-yl acetate
FL/FR
osmanthus concrete
FL/FR
phenethyl isovalerate
FL/FR
sambucus canadensis fruit absolute
FL/FR
star fruit oil cuba
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
tagete oil madagascar
FL/FR
terpinyl valerate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
fusel
green
cognac oil
FL/FR
green
(E)-
citronellyl tiglate
FL/FR
iso
jasmone
FL/FR
honey
phenethyl isobutyrate
FL/FR
minty
laevo-
menthyl acetate
FL/FR
spicy
cinnamyl formate
FL/FR
spicy acetoacetate
FL/FR
tropical
3-
mercaptohexyl acetate
FL/FR
waxy
allyl nonanoate
FL/FR
butyl undecylenate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
winey
cinnamyl butyrate
FL/FR
woody
methyl ionyl acetate
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 apple fruit
Search PMC Picture
 brandy grape brandy
Search PMC Picture
 gooseberry cape gooseberry fruit
Search Trop Picture
 grapefruit juice - 0.03 mg/kg
Search Trop Picture
 orange juice - 0.02 mg/kg
Search Trop Picture
 papaya fruit - up to 0.05 mg/kg
Search Trop Picture
 pear fruit
Search Trop Picture
 
Synonyms:
 ethyl-3-hydroxy octanoate
beta-hydroxycaprylic acid ethyl ester
3-hydroxyoctanoic acid ethyl ester
 octanoic acid, 3-hydroxy-, ethyl ester
 
 
Notes:
Isol. from various fruits; Flavouring agent [CCD]
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