3-octyl tiglate
1-ethylhexyl tiglate
 
Notes:
Flavouring agent
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      94133-92-3 1-Ethylhexyl tiglate
       
  • CJ Latta & Associates
    • CJ Latta & Associates, LLC
      Extensive Line
      Aromatic Chemicals and Organic Acids.
      CJ Latta & Associates is a distributor of specialty aromatics and organic acids used in the formulation of flavors and fragrance manufactured worldwide. We pride ourselves on our reputation for, fair pricing, quality and reliability. We’ve built our business on successfully sourcing and developing many challenging specialty chemicals and fine ingredients for our clients.
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      3-OCTYL TIGLATE
       
  • Penta International
    • Penta International Corporation
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      Product(s):
      05-38900 ETHYL HEXYL TIGLATE
       
  • Sigma-Aldrich
  • Synerzine
    • Synerzine, Inc.
      Innovation. Customization. Aroma Ingredients.
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      W0554 1-Ethylhexyl Tiglate
       
  • WholeChem
    • WholeChem, LLC
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      3-Octyl Tiglate
       
Synonyms   Articles   Notes   Search
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)
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
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 448  1-ethylhexyl tiglate
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
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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
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
 
Odor Type: spicy
 
 spicy  fruit dried fruit  peppery  
Odor Description:
at 100.00 %. 
spicy dried fruit peppery
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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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
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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
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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: --
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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
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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
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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
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Potential Blenders and core components note
 
For Odor
anisic
bitter fennel seed oil spainFR
balsamic
 amyris wood oilFL/FR
 copaiba balsam oilFL/FR
 ethyl cinnamateFL/FR
 tolu balsam oilFL/FR
 tolu balsam oil replacerFR
berry
 berry jam fragranceFR
caramellic
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-oneFL/FR
cheesy
2-heptanoneFL/FR
floral
 benzyl formateFL/FR
alpha-bisabololFL/FR
2-hexylidene cyclopentanoneFL/FR
 rhodinyl isobutyrateFL/FR
 rose carboxylateFR
fruity
para-anisyl methyl ketoneFL/FR
green
 octanal diethyl acetalFL/FR
 canarium luzonicum gumFL/FR
 canarium luzonicum oilFL/FR
 lavender absolute bulgariaFL/FR
 nonisyl acetateFR
spicy
 agarospirolFR
 atractylis root oilFR
 cadinadiene 
4-carvomenthenolFL/FR
 cinnamyl propionateFL/FR
 ethyl vinyl ketoneFL/FR
 grains of paradise oilFL/FR
 myrceneFR
black pepper absoluteFL/FR
 pepper hexanoneFR
black pepper oilFL/FR
black pepper oleoresinFL/FR
 pepper tree berry oilFL/FR
(E)-propyl 2-furan acrylateFL/FR
 zvoulimba leaf oilFR
terpenic
 angelica seed oilFL/FR
 elemi resinoidFL/FR
 juniperus communis fruit oilFL/FR
laevo-limoneneFL/FR
woody
alpha-guaieneFL/FR
 methyl vetivateFR
 sugi wood oilFR
 
For Flavor
 
No flavor group found for these
 benzyl methyl tiglateFL
alpha-bisabololFL/FR
 cadinadiene 
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-oneFL/FR
 grains of paradise oilFL/FR
alpha-guaieneFL/FR
2-hexylidene cyclopentanoneFL/FR
 hexyl 3-mercaptobutanoateFL
amber
 angelica seed oilFL/FR
balsamic
 copaiba balsam oilFL/FR
 ethyl cinnamateFL/FR
 tolu balsam oilFL/FR
caramellic
5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-oneFL
cheesy
2-heptanoneFL/FR
cooling
4-carvomenthenolFL/FR
floral
 cinnamyl propionateFL/FR
 rhodinyl isobutyrateFL/FR
fruity
 benzyl formateFL/FR
(E)-propyl 2-furan acrylateFL/FR
green
 canarium luzonicum gumFL/FR
 canarium luzonicum oilFL/FR
 elemi resinoidFL/FR
 octanal diethyl acetalFL/FR
herbal
 lavender absolute bulgariaFL/FR
spicy
para-anisyl methyl ketoneFL/FR
 cubeb oleoresinFL
 ethyl vinyl ketoneFL/FR
black pepper absoluteFL/FR
black pepper oilFL/FR
black pepper oleoresinFL/FR
white pepper oleoresinFL
 pepper tree berry oilFL/FR
terpenic
 juniperus communis fruit oilFL/FR
laevo-limoneneFL/FR
woody
 amyris wood oilFL/FR
 
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Potential Uses:
 fruit dried fruit 
 herbalFR
 spiceFR
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Occurrence (nature, food, other): note
 not found in nature
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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
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