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    General Material Information
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hexyl propionate

Chemical Structure

General Material Information

Preferred name hexyl propionate
Trivial Name Hexyl propanoate
Short Description propionic acid, hexyl ester
Formula C9 H18 O2
CAS Number 2445-76-3
FEMA Number 2576
Flavis Number 9.139
ECHA Number 219-495-1
FDA UNII 8R2W3UA8JV
Nikkaji Number J587H
Beilstein Number 1752269
MDL MFCD00085197
COE Number 420
NMR Predictor External link
JECFA Food Flavoring 144 hexyl propionate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 2445-76-3 ; HEXYL PROPIONATE
Synonyms
  • hexyl propanoate
  • 1-hexyl propanoate
  • N- hexyl propanoate
  • 1-hexyl propionate
  • nat. hexyl propionate
  • hexyl propionate natural
  • hexyle propionate
  • hexylpropionate
  • propanoic acid hexyl ester
  • propanoic acid, hexyl ester
  • propionic acid hexyl ester
  • propionic acid, hexyl ester
  • n-Hexyl propionate
  • 1-Hexyl propionate
  • 1-Hexyl propanoate

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

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Literature & References

hexyl propanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:2445-76-3
Pubchem (cid):88454
Pubchem (sid):135262964
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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB34606
FooDB:FDB013123
Export Tariff Code:2915.50.3000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 158.24085998535
Specific gravity @ 25 °C
Pounds per Gallon 7.206 to 7.231
Refractive Index 1.411 to 1.414 @ 20 °C
Boiling Point 73 to 74°C @ 10 mm Hg
Vapor Pressure 0.557 mmHg @ 25 °C
Flash Point TCC Value 65 °C TCC
logP (o/w) 3.333 est
Solubility
alcohol Yes
propylene glycol Yes
water, very slightly Yes
water, 101.9 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
pear, green, fruity, musty, fruit overripe fruit
General comment At 100.00 %. pear green fruity musty rotting fruit

Occurrences

Potential Uses

Applications
Odor purposes Apple, Earth, Melon
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 - Wear suitable protective clothing.
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:
oral-rat LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 355, 1988.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 355, 1988.

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 hexyl propionate usage levels up to:
4.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 5.70 (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
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -22.00000
beverages(nonalcoholic): -5.70000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -23.00000
fruit ices: -23.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -21.00000
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):

Flavouring Group Evaluation 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):2445-76-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :88454
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
hexyl propanoate
Chemidplus:0002445763
RTECS:UA2462200 for cas# 2445-76-3