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hexyl formate

Chemical Structure

General Material Information

Preferred name hexyl formate
Trivial Name Hexyl formate
Short Description formic acid, hexyl ester
Formula C7 H14 O2
CAS Number 629-33-4
FEMA Number 2570
Flavis Number 9.161
ECHA Number 211-087-1
FDA UNII 9GPU7PGV1G
Nikkaji Number J94.883G
Beilstein Number 1701629
MDL MFCD00046146
COE Number 499
xLogP3-AA 2.50 (est)
NMR Predictor External link
JECFA Food Flavoring 120 hexyl formate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 629-33-4 ; HEXYL FORMATE
Synonyms
  • formic acid hexyl ester
  • formic acid n-hexyl ester
  • formic acid, hexyl ester
  • N- hexyl formate
  • hexyl methanoate
  • N- hexyl methanoate
  • hexyl-formate
  • hexyle formiate
  • hexylformate
  • Hexyl alcohol, formate
  • n-Hexyl formate
  • NSC 4780

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

Google Scholar Start search
Google Books Start search
Google Patents Start search
Perfumer & Flavorists Start search
EU Patents Start search
PubMeb Start search
NCBI Start search

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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB32874
FooDB:FDB010854
Export Tariff Code:2915.13.0000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 130.18698120117
Specific gravity @ 25 °C
Pounds per Gallon 7.306 to 7.339
Refractive Index 1.405 to 1.409 @ 20 °C
Boiling Point 155 to 156°C @ 760 mm Hg
Vapor Pressure 2.969 mmHg @ 25 °C
Flash Point TCC Value 47.78 °C TCC
logP (o/w) 2.415 est
Solubility
alcohol Yes
water, very slightly Yes
water, 1034 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
apple, plum, banana, sweet
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 4 hour(s) at 100.00 %
Luebke, William tgsc, (1989) At 10.00 % in dipropylene glycol. apple unripe plum banana sweet
Flavor Type: Green
ethereal, green, banana unripe banana, nasturtium, plum skin
Luebke, William tgsc, (1989) Ethereal green unripe banana nasturtium plum skin

Occurrences

Potential Uses

Applications
Odor purposes Apple, Banana, Fruit, Green, Lemon, Orange, Plum, Raspberry, Strawberry, Woodruff
Flavoring purposes Arrack
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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 37/39 - Wear suitable gloves 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:
oral-rat LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 351, 1988.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 351, 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 formate usage levels up to:
4.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 8.70 (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: -52.00000
beverages(nonalcoholic): -12.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -45.00000
fruit ices: -45.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -39.00000
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):629-33-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61177
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3272
WGK Germany:2
hexyl formate
Chemidplus:0000629334
RTECS:LQ8595000 for cas# 629-33-4