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phenethyl tiglate

Chemical Structure

General Material Information

Preferred name phenethyl tiglate
Trivial Name Phenylethyl tiglate
Short Description phenethyl 2-methylcrotonate
Formula C13 H16 O2
CAS Number 55719-85-2
FEMA Number 2870
Flavis Number 9.496
ECHA Number 259-774-5
FDA UNII 121LO7146V
Nikkaji Number J60.242F
Beilstein Number 2523411
MDL MFCD00036576
COE Number 2186
xLogP3-AA 3.30 (est)
NMR Predictor External link
JECFA Food Flavoring 997 phenethyl tiglate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 55719-85-2 ; PHENETHYL TIGLATE
Synonyms
  • benzyl carbinyl tiglate
  • benzylcarbinyl tiglate
  • 2-butenoic acid, 2-methyl-, 2-phenylethyl ester, (2E)-
  • 2-butenoic acid, 2-methyl-, 2-phenylethyl ester, (E)-
  • 2-cyclohexylethyl (E)-2-methylbut-2-enoate
  • (E)-2-methyl-2-butenoic acid 2-phenethyl ester
  • (E)-2-methyl-2-butenoic acid 2-phenyl ethyl ester
  • phenethyl 2-methyl crotonate
  • (E)-2-phenethyl 2-methyl-2-butenoate
  • phenethyl 2-methylcrotonate
  • phenethyl-alpha-methyl butenoate
  • phenyl ethyl (2E)-2-methyl-2-butenoate
  • (E)-2-phenyl ethyl 2-methyl-2-butenoate
  • phenyl ethyl tiglate
  • 2-phenyl ethyl tiglate
  • phenyl ethyl tiglate, no antioxidant
  • 2-phenyl ethyl trans-2-methyl butenoate
  • 2-phenyl ethyl trans-2,3-dimethyl acrylate
  • phenyl ethyl-alpha-methyl butenoate
  • 2-phenylethyl (2E)-2-methylbut-2-enoate
  • 2-phenylethyl 2-methyl-2-butenoate, (E)-
  • 2-phenylethyl trans-2-methylbutenoate
  • 2-phenylethyl trans-2,3-dimethylacrylate
  • 2-cyclohexylethyl (E)-2-methylbut-2-enoate
  • 2-Butenoic acid, 2-methyl-, 2-phenylethyl ester, (2E)-
  • 2-Butenoic acid, 2-methyl-, 2-phenylethyl ester, (E)-
  • Phenylethyl tiglate
  • 2-Phenylethyl tiglate
  • β-Phenylethyl tiglate
  • NSC 69122

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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB37628
FooDB:FDB016742
Export Tariff Code:2916.19.6000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 204.26892089844
Specific gravity @ 25 °C
Pounds per Gallon 8.404 to 8.462
Refractive Index 1.51 to 1.516 @ 20 °C
Boiling Point 139 to 140°C @ 7 mm Hg
Vapor Pressure 0.001 mmHg @ 25 °C
Flash Point TCC Value 101.67 °C TCC
logP (o/w) 3.54 est
Solubility
alcohol Yes
water, slightly Yes
water, 19.95 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Green
green, sweet, rose, natural, oily, leafy, herbal
Odor strength medium
Substantivity 240 hour(s) at 100.00 %
Luebke, William tgsc, (1997) At 100.00 %. green sweet rose natural oily leaf herbal
Flavor Type: Green
sweet, green, leafy, cortex, rose, geranium
Luebke, William tgsc, (1997) Sweet green leafy cortex rose geranium
Sweet, green notes for fruits, especially cherry, kiwi, and other fruits. Sweet, green, slightly rosy
General comment Rose note, slightly aromatic fruity

Occurrences

Potential Uses

Applications
Odor purposes Green, Hyacinth, Fresh outdoors, Raspberry, Rose, Strawberry
Flavoring purposes Nut
Other purposes Modifier
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
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.
Human Experience:
6 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
(Levenstein, 1974e)

oral-rat LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 909, 1975.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 909, 1975.

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 phenethyl tiglate usage levels up to:
6.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.24 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 1.00 (μg/capita/day)
Structure Class: I
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: -10.00000
beverages(nonalcoholic): 0.800000.90000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -4.30000
fruit ices: -4.30000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -10.00000
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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to: Flavouring Group Evaluation 14 (FGE.14): Phenethyl alcohol, aldehyde, esters, and related phenylacetic acid esters from chemical group 15 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 53 (FGE.53): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and one phenoxyethyl ester evaluated in FGE.23 (2006) (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

Flavouring Group Evaluation 14, Revision 1 (FGE.14Rev1): Phenethyl alcohol, aldehyde, acetals, carboxylic acid and related esters from chemical group 15 and 22 [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 53, Revision 1 (FGE.53Rev1): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) FGE.23Rev1 (2008)
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):55719-85-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5357002
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-cyclohexylethyl (E)-2-methylbut-2-enoate
Chemidplus:0055719852
RTECS:EM9255000 for cas# 55719-85-2