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3-octyl tiglate

General Material Information

Preferred name 3-octyl tiglate
Trivial Name octan-3-yl 2-methylbut-2-enoate
Short Description 1-ethylhexyl tiglate
Formula C13 H24 O2
CAS Number 94133-92-3
CAS Number 94133-92-3 (E)
FEMA Number 3676
Flavis Number 9.539
ECHA Number 302-757-5
FDA UNII 8V8567YK6H
Nikkaji Number J368.194G
MDL MFCD00016641
xLogP3-AA 4.60 (est)
NMR Predictor External link
JECFA Food Flavoring 448 1-ethylhexyl tiglate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 94133-92-3 ; 1-ETHYLHEXYL TIGLATE
Synonyms
  • 1-ethyl hexyl 2-methyl crotonate
  • (E)-1-ethyl hexyl 2-methyl-2-butenoate
  • 1-ethyl hexyl tiglate
  • (E)-1-ethylhexyl 2-methyl-2-butenoate
  • 1-ethylhexyl 2-methylcrotonate
  • 1-ethylhexyl tiglate
  • oct-3-yl 2-methylcrotonate
  • octan-3-yl 2-methylbut-2-enoate
  • 3-octyl (E)-2-methyl-2-butenoate
  • 3-octyl 2-methyl crotonate
  • 3-octyl 2-methyl-2-butenoate
  • 3-octyl 2-methylcrotonate

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

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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):HMDB37626
FooDB:FDB016740
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 212.33268737793
Specific gravity @ 25 °C
Pounds per Gallon 7.314 to 7.364
Refractive Index 1.441 to 1.447 @ 20 °C
Boiling Point 94 to 96°C @ 60 mm Hg
Acid Value 2.9 max KOH/g
Vapor Pressure 0.008 mmHg @ 25 °C
Flash Point TCC Value 98.89 °C TCC
logP (o/w) 5.126 est
Solubility
alcohol Yes
water, 1.832 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Spicy
spicy, fruit dried fruit, peppery
General comment At 100.00 %. spicy dried fruit peppery

Potential Uses

Applications
Odor purposes Herbal, Spice
Other purposes Fruit dried fruit

Safety Information

Safety information

Preferred SDS: View
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 3-octyl tiglate usage levels up to:
2.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (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: 13
Click here to view publication 13
average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: -20.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -50.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -20.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: -250.00000
snack foods: -20.00000
soft candy: --
soups: -20.00000
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) related to Flavouring Group Evaluation 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission
View page or View pdf

Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :4093587
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
octan-3-yl 2-methylbut-2-enoate
Chemidplus:0094133923
octan-3-yl (E)-2-methylbut-2-enoate