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ethyl 3-hydroxyhexanoate

Chemical Structure

General Material Information

Preferred name ethyl 3-hydroxyhexanoate
Trivial Name (±)-Ethyl 3-Hydroxyhexanoate
Short Description hexanoic acid, 3-hydroxy-, ethyl ester
Formula C8 H16 O3
CAS Number 2305-25-1
FEMA Number 3545
Flavis Number 9.535
ECHA Number 218-973-7
FDA UNII 2M3L6B34FF
Nikkaji Number J126.500H
MDL MFCD00036604
COE Number 11764
xLogP3-AA 1.00 (est)
NMR Predictor External link
JECFA Food Flavoring 601 ethyl 3-hydroxyhexanoate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 2305-25-1 ; ETHYL 3-HYDROXYHEXANOATE
Synonyms
  • ethyl 3 hydroxy hexanoate (caproate)
  • ethyl 3-hydroxy caproate natural
  • ethyl 3-hydroxy caproate synthetic
  • ethyl 3-hydroxy hexanoate
  • ethyl 3-hydroxycaproate
  • ethyl beta-hydroxycaproate
  • ethyl-3-hydroxy caproate
  • ethyl-3-hydroxy hexanoate
  • hexanoic acid, 3-hydroxy-, ethyl ester
  • 3-hydroxyhexanoic acid ethyl ester
  • leather caproate
  • Caproic acid, β-hydroxy-, ethyl ester
  • (±)-Ethyl 3-Hydroxyhexanoate
  • 3-Hydroxy-hexanoic acid ethyl ester

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

ethyl 3-hydroxyhexanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:2305-25-1
Pubchem (cid):61293
Pubchem (sid):135017437
Flavornet:2305-25-1
Pherobase:View
Publications by Info
Volatile Flavor Components in Bogyojosaeng and Suhong Cultivars of Strawberry (Fragaria ananassa Duch.)

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (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
CHEBI:View
HMDB (The Human Metabolome Database):HMDB31509
FooDB:FDB008100
YMDB (Yeast Metabolome Database):YMDB01356
Export Tariff Code:2918.19.9000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:Ethyl 3-hydroxyhexanoate

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 160.21311950684
Specific gravity @ 25 °C
Pounds per Gallon 8.071 to 8.188
Refractive Index 1.426 to 1.43 @ 20 °C
Boiling Point 101 to 102°C @ 14 mm Hg
Boiling Point 85 to 90°C @ 10 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.006 mmHg @ 25 °C
Vapor Density 5.5
Flash Point TCC Value 94.44 °C TCC
logP (o/w) 1.117 est
Solubility
alcohol Yes
water, 1.748e+004 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Fruity
fruity, grape, woody burnt wood, hay, spicy, pineapple, cranberry, dusty, woody, green, sweet, citrus
Odor strength medium
Substantivity > 24 hour(s) at 100.00 %
Luebke, William tgsc, (2017) At 100.00 %. fruity grape burnt wood hay spicy pineapple cranberry dusty woody
Mosciano, Gerard P&F 15, No. 3, 51, (1990) Fruity, grape, green, sweet, hay like with citrus nuances
Flavor Type: Fruity
sweet, fruity, tropical, grape, grassy, hay, cranberry, citrus
Luebke, William tgsc, (2017) Sweet fruity tropical grape grassy hay cranberry citrus
Mosciano, Gerard P&F 15, No. 3, 51, (1990) At 80.00 ppm. Sweet, fruity, grape with citrus notes
Good for cheese, citrus, grape, overripe fruits. Also useful for meat and vegetable applications. Cheese, overripe fruit
General comment Fruity juicy taste. Useful in citrus flavours to bring juicy effect

Occurrences

Potential Uses

Applications
Odor purposes Citrus, Fruit, Fruit juicy fruit, Grape, Grapefruit, Hay new mown hay, Leather, Mandarin, Orange, Tobacco
Flavoring purposes Smoke
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/39 - Wear suitable clothing and eye/face protection.
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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for ethyl 3-hydroxyhexanoate usage levels up to:
2.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 60.00 (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: 11
Click here to view publication 11
average usual ppmaverage maximum ppm
baked goods: -5.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): -1.00000
breakfast cereal: -5.00000
cheese: --
chewing gum: -1.00000
condiments / relishes: --
confectionery froastings: -1.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.00000
fruit ices: -1.00000
gelatins / puddings: -1.00000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: -1.00000
meat products: --
milk products: -1.00000
nut products: --
other grains: -5.00000
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):

Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to - Flavouring Group Evaluation 10: 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 - (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

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

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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):2305-25-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61293
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
ethyl 3-hydroxyhexanoate
Chemidplus:0002305251