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butyl heptanoate

Chemical Structure

General Material Information

Preferred name butyl heptanoate
Trivial Name Butyl heptanoate
Short Description butyl heptoate
Formula C11 H22 O2
CAS Number 5454-28-4
FEMA Number 2199
Flavis Number 9.091
ECHA Number 226-707-6
FDA UNII 0Y61V5656M
Nikkaji Number J115.080D
MDL MFCD00048898
COE Number 363
xLogP3-AA 3.80 (est)
NMR Predictor External link
JECFA Food Flavoring 169 butyl heptanoate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 5454-28-4 ; BUTYL HEPTANOATE
Synonyms
  • butyl heptoate
  • butyl heptylate
  • butyl-heptanoate
  • heptanoic acid butyl ester
  • heptanoic acid, butyl ester
  • Butyl enanthate
  • NSC 23048

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

Google Scholar Start search
Google Books Start search
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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
HMDB (The Human Metabolome Database):HMDB41559
FooDB:FDB021547
Export Tariff Code:2915.90.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 186.29473876953
Specific gravity @ 25 °C
Pounds per Gallon
Vapor Pressure 0.09 mmHg @ 25 °C
Flash Point TCC Value 86.67 °C TCC
logP (o/w) 4.352 est
Solubility
alcohol Yes
water, 10.87 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Green
green, fruity, licorice, grassy, oily, winey, starfruit, pear, tropical
Luebke, William tgsc, (2017) At 100.00 %. green fruity licorice grassy oily winey starfruit pear tropical
Flavor Type: Fruity
fruity, green, winey, pear, starfruit, tropical, papaya, licorice
Luebke, William tgsc, (2017) Fruity green winey pear starfruit tropical papaya licorice

Occurrences

Safety Information

Safety information

European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
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:
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 butyl heptanoate usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.00 (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
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: 2.0000025.00000
beverages(nonalcoholic): 0.500001.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 2.0000010.00000
fruit ices: 2.0000010.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 2.0000025.00000
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):5454-28-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :21596
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
butyl heptanoate
Chemidplus:0005454284