EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

3-octyl tiglate
1-ethylhexyl tiglate

Supplier Sponsors

Name:octan-3-yl 2-methylbut-2-enoate
CAS Number: 94133-92-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:302-757-5
FDA UNII:8V8567YK6H
MDL:MFCD00016641
XlogP3-AA:4.60 (est)
Molecular Weight:212.33268000
Formula:C13 H24 O2
NMR Predictor:Predict (works with chrome or firefox)
Name:octan-3-yl (E)-2-methylbut-2-enoate
CAS Number: 94133-92-3 (E)Picture of molecule3D/inchi
Nikkaji Web:J368.194G
XlogP3-AA:4.60 (est)
Molecular Weight:212.33268000
Formula:C13 H24 O2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
JECFA evaluated 1-ethylhexyl tiglate (CASrn as in Register). (R)- or (S)- enantiomer not specified by CASrn in Register.
Category:flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
JECFA Food Flavoring:448 1-ethylhexyl tiglate
FLAVIS Number:09.539 (Old)
DG SANTE Food Flavourings:09.539 oct-3-yl 2-methylcrotonate
FEMA Number:3676 1-ethylhexyl tiglate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):94133-92-3 ; 1-ETHYLHEXYL TIGLATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.87900 to 0.88500 @ 25.00 °C.
Pounds per Gallon - (est).: 7.314 to 7.364
Refractive Index:1.44100 to 1.44700 @ 20.00 °C.
Boiling Point: 94.00 to 96.00 °C. @ 60.00 mm Hg
Acid Value: 2.90 max. KOH/g
Vapor Pressure:0.008000 mmHg @ 25.00 °C. (est)
Flash Point: 210.00 °F. TCC ( 98.89 °C. )
logP (o/w): 5.126 (est)
Soluble in:
 alcohol
 water, 1.832 mg/L @ 25 °C (est)
Similar Items:note
allyl tiglate
amyl tiglate
isoamyl tiglate
benzyl methyl tiglate
benzyl tiglate
butyl tiglate
isobutyl tiglate
cinnamyl tiglate
(E)-citronellyl tiglate
(E)-ethyl tiglate
geranyl methyl tiglate
geranyl tiglate
(Z)-3-hexen-1-yl tiglate
hexyl tiglate
methyl tiglate
phenethyl tiglate
propyl tiglate
isopropyl tiglate
 
Organoleptic Properties:
Odor Type: spicy
Odor Strength:medium
spicy fruit dried fruit peppery
Odor Description:at 100.00 %. spicy dried fruit peppery
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
1-Ethylhexyl tiglate
CJ Latta & Associates
3-OCTYL TIGLATE
Parchem
3-octyl tiglate
Penta International
ETHYL HEXYL TIGLATE
Sigma-Aldrich
1-Ethylhexyl tiglate, ≥95%, FG
Odor: spicy
Certified Food Grade Products
Synerzine
1-Ethylhexyl Tiglate
WholeChem
3-Octyl Tiglate
 
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
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
 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
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
 
References:
 octan-3-yl 2-methylbut-2-enoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:94133-92-3
Pubchem (cid):4093587
Pubchem (sid):35351752
 octan-3-yl (E)-2-methylbut-2-enoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:94133-92-3
Pubchem (cid):6008212
Pubchem (sid):40508449
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
 
Potential Blenders and core components note
For Odor
anisic
bitter
fennel seed oil spain
FR
balsamic
amyris wood oil
FL/FR
copaiba balsam oil
FL/FR
ethyl cinnamate
FL/FR
tolu balsam oil
FL/FR
tolu balsam oil replacer
FR
berry
berry jam fragrance
FR
caramellic
5-
ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
FL/FR
cheesy
2-
heptanone
FL/FR
floral
benzyl formate
FL/FR
alpha-
bisabolol
FL/FR
2-
hexylidene cyclopentanone
FL/FR
rhodinyl isobutyrate
FL/FR
rose carboxylate
FR
fruity
para-
anisyl methyl ketone
FL/FR
green
octanal diethyl acetal
FL/FR
herbal
canarium luzonicum gum
FL/FR
canarium luzonicum oil
FL/FR
lavender absolute bulgaria
FL/FR
nonisyl acetate
FR
spicy
agarospirol
FR
atractylis root oil
FR
4-
carvomenthenol
FL/FR
cinnamyl propionate
FL/FR
ethyl vinyl ketone
FL/FR
grains of paradise oil
FL/FR
myrcene
FR
black
pepper absolute
FL/FR
pepper hexanone
FR
black
pepper oil
FL/FR
black
pepper oleoresin
FL/FR
pepper tree berry oil
FL/FR
(E)-
propyl 2-furan acrylate
FL/FR
zvoulimba leaf oil
FR
terpenic
angelica seed oil
FL/FR
elemi resinoid
FL/FR
juniperus communis fruit oil
FL/FR
laevo-
limonene
FL/FR
woody
alpha-
guaiene
FL/FR
methyl vetivate
FR
sugi wood oil
FR
For Flavor
No flavor group found for these
benzyl methyl tiglate
FL
alpha-
bisabolol
FL/FR
5-
ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
FL/FR
grains of paradise oil
FL/FR
alpha-
guaiene
FL/FR
2-
hexylidene cyclopentanone
FL/FR
hexyl 3-mercaptobutanoate
FL
amber
amber
angelica seed oil
FL/FR
balsamic
copaiba balsam oil
FL/FR
ethyl cinnamate
FL/FR
tolu balsam oil
FL/FR
caramellic
5-
ethyl-3,4,5,6-tetramethyl cyclohexen-2-one
FL
cheesy
2-
heptanone
FL/FR
cooling
4-
carvomenthenol
FL/FR
floral
cinnamyl propionate
FL/FR
rhodinyl isobutyrate
FL/FR
fruity
benzyl formate
FL/FR
(E)-
propyl 2-furan acrylate
FL/FR
green
canarium luzonicum gum
FL/FR
canarium luzonicum oil
FL/FR
elemi resinoid
FL/FR
octanal diethyl acetal
FL/FR
herbal
lavender absolute bulgaria
FL/FR
spicy
para-
anisyl methyl ketone
FL/FR
cubeb oleoresin
FL
ethyl vinyl ketone
FL/FR
black
pepper absolute
FL/FR
black
pepper oil
FL/FR
black
pepper oleoresin
FL/FR
white
pepper oleoresin
FL
pepper tree berry oil
FL/FR
terpenic
juniperus communis fruit oil
FL/FR
laevo-
limonene
FL/FR
woody
amyris wood oil
FL/FR
 
Potential Uses:
 fruit dried fruit
FRherbal
FRspice
 
Occurrence (nature, food, other):note
 not found in nature
 
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
 

Articles:

 None found yet.
 
Notes:
Flavouring agent
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